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Species with data from:

Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49.

Due to the large number of matching species, only the first 400 will be shown.

For each matching species the following will be displayed:

Click on the name to see more data.

  1. Hexanal (C6H12O)
  2. Octanal (C8H16O)
  3. 1-Octanol (C8H18O)
  4. 1-Hexanol (C6H14O)
  5. 1-Butanol, 3-methyl- (C5H12O)
  6. Heptanal (C7H14O)
  7. 1-Butanol (C4H10O)
  8. 1-Pentanol (C5H12O)
  9. 2-Heptanone (C7H14O)
  10. Butanal, 3-methyl- (C5H10O)
  11. 2-Pentanone (C5H10O)
  12. 2-Butanone (C4H8O)
  13. 2-Nonanone (C9H18O)
  14. Pentanal (C5H10O)
  15. Acetone (C3H6O)
  16. 2-Undecanone (C11H22O)
  17. Butanal, 2-methyl- (C5H10O)
  18. 1-Heptanol (C7H16O)
  19. 1-Hexanol, 2-ethyl- (C8H18O)
  20. 1-Butanol, 2-methyl- (C5H12O)
  21. 3-Octanol (C8H18O)
  22. 2-Butanol (C4H10O)
  23. 2-Hexanone (C6H12O)
  24. 3-Octanone (C8H16O)
  25. 1-Nonanol (C9H20O)
  26. 1-Decanol (C10H22O)
  27. 2-Octanone (C8H16O)
  28. Butane, 2,3-dimethyl- (C6H14)
  29. Pentane, 2-methyl- (C6H14)
  30. 1-Octene (C8H16)
  31. Pentane, 3-methyl- (C6H14)
  32. Butane, 2,2-dimethyl- (C6H14)
  33. 2-Heptanol (C7H16O)
  34. 1-Hexene (C6H12)
  35. Hexane, 2-methyl- (C7H16)
  36. 2-Pentanol (C5H12O)
  37. Pentane, 2,4-dimethyl- (C7H16)
  38. Butanal (C4H8O)
  39. Pentane, 2,2,4-trimethyl- (C8H18)
  40. Propanal, 2-methyl- (C4H8O)
  41. 1-Heptene (C7H14)
  42. Pentane, 2,2-dimethyl- (C7H16)
  43. Heptane, 2-methyl- (C8H18)
  44. Pentane, 2,3-dimethyl- (C7H16)
  45. Heptane, 3-methyl- (C8H18)
  46. Hexane, 3-methyl- (C7H16)
  47. Butane, 2-methyl- (C5H12)
  48. Pentane, 3,3-dimethyl- (C7H16)
  49. Butane, 2,2,3-trimethyl- (C7H16)
  50. 3-Pentanone (C5H10O)
  51. Methyl Isobutyl Ketone (C6H12O)
  52. 2-Tridecanone (C13H26O)
  53. 1-Pentene (C5H10)
  54. 1-Dodecene (C12H24)
  55. Pentane, 3-ethyl- (C7H16)
  56. Heptane, 4-methyl- (C8H18)
  57. 2-Decanone (C10H20O)
  58. Hexane, 2,3-dimethyl- (C8H18)
  59. 2-Butene, 2-methyl- (C5H10)
  60. 2-Hexanol (C6H14O)
  61. 3-Hexanone (C6H12O)
  62. 1-Nonene (C9H18)
  63. 2-Pentene, (E)- (C5H10)
  64. 2-Pentene, (Z)- (C5H10)
  65. Hexane, 3,4-dimethyl- (C8H18)
  66. 1-Decene (C10H20)
  67. 1-Tetradecene (C14H28)
  68. 1-Tridecene (C13H26)
  69. 3-Pentanol (C5H12O)
  70. Hexane, 2,2-dimethyl- (C8H18)
  71. 2-Pentadecanone (C15H30O)
  72. 1-Undecene (C11H22)
  73. 1-Butene (C4H8)
  74. 2-Nonanol (C9H20O)
  75. 2-Methyl-1-butene (C5H10)
  76. Octane, 2-methyl- (C9H20)
  77. 3-Hexene, (E)- (C6H12)
  78. Neopentane (C5H12)
  79. 2-Butanone, 3-methyl- (C5H10O)
  80. Hexane, 2,2,5-trimethyl- (C9H20)
  81. 1-Pentene, 2-methyl- (C6H12)
  82. Nonane, 3-methyl- (C10H22)
  83. 1-Pentene, 4-methyl- (C6H12)
  84. 2-Pentene, 2-methyl- (C6H12)
  85. Pentane, 2,3,3-trimethyl- (C8H18)
  86. 2-Butene, 2,3-dimethyl- (C6H12)
  87. Pentane, 3-ethyl-2-methyl- (C8H18)
  88. 2-Heptene, (E)- (C7H14)
  89. 1-Butene, 3-methyl- (C5H10)
  90. 3-Hexanol (C6H14O)
  91. 3-Heptanone (C7H14O)
  92. 2-Butene, (E)- (C4H8)
  93. 1-Pentanol, 4-methyl- (C6H14O)
  94. 2-Butene, (Z)- (C4H8)
  95. 3-Hexene, (Z)- (C6H12)
  96. Pentane, 2,2,3-trimethyl- (C8H18)
  97. Nonane, 2-methyl- (C10H22)
  98. 1-Propene, 2-methyl- (C4H8)
  99. 2-Hexene, (Z)- (C6H12)
  100. 2-Hexene, (E)- (C6H12)
  101. 2-Pentene, 3-methyl-, (E)- (C6H12)
  102. Octane, 3-methyl- (C9H20)
  103. Octane, 4-methyl- (C9H20)
  104. 3-Heptene, (E)- (C7H14)
  105. 4-Heptanone (C7H14O)
  106. 2-Butanone, 3,3-dimethyl- (C6H12O)
  107. 2-Octene, (Z)- (C8H16)
  108. 1-Pentene, 3-methyl- (C6H12)
  109. 2-Octene, (E)- (C8H16)
  110. (Z)-2-Heptene (C7H14)
  111. Heptane, 2,4-dimethyl- (C9H20)
  112. 1-Pentanol, 3-methyl- (C6H14O)
  113. 2-Butanol, 3-methyl- (C5H12O)
  114. Nonane, 4-methyl- (C10H22)
  115. 2-Pentanone, 3-methyl- (C6H12O)
  116. 2-Pentanol, 2-methyl- (C6H14O)
  117. 5-Nonanone (C9H18O)
  118. 4-Octene, (E)- (C8H16)
  119. Heptane, 2,2-dimethyl- (C9H20)
  120. Pentane, 2,2,4,4-tetramethyl- (C9H20)
  121. 2-Pentanol, 4-methyl- (C6H14O)
  122. (Z)-3-Heptene (C7H14)
  123. Pentane, 3,3-diethyl- (C9H20)
  124. 2-Dodecanone (C12H24O)
  125. Nonane, 5-methyl- (C10H22)
  126. 1-Pentene, 2,4,4-trimethyl- (C8H16)
  127. Hexane, 2,3,5-trimethyl- (C9H20)
  128. Hexane, 2,2,4-trimethyl- (C9H20)
  129. Heptane, 2,3-dimethyl- (C9H20)
  130. 1-Butene, 2,3-dimethyl- (C6H12)
  131. Heptane, 2,5-dimethyl- (C9H20)
  132. 2-Pentene, 4-methyl-, (E)- (C6H12)
  133. Heptane, 2,6-dimethyl- (C9H20)
  134. 1-Pentanol, 2-methyl- (C6H14O)
  135. 1-Pentene, 2,4-dimethyl- (C7H14)
  136. 2-Pentene, 2,4,4-trimethyl- (C8H16)
  137. 3-Octene, (E)- (C8H16)
  138. 1-Butene, 3,3-dimethyl- (C6H12)
  139. 2-Pentene, 4-methyl-, (Z)- (C6H12)
  140. 2-Pentene, 2,3-dimethyl- (C7H14)
  141. 2-Hexanone, 5-methyl- (C7H14O)
  142. 1-Hexene, 2-methyl- (C7H14)
  143. 2-Hexene, 2-methyl- (C7H14)
  144. 1-Butene, 2,3,3-trimethyl- (C7H14)
  145. 3-Pentanone, 2-methyl- (C6H12O)
  146. Heptane, 3,3-dimethyl- (C9H20)
  147. 4-Octene, (Z)- (C8H16)
  148. 2-Hexene, 4-methyl-, (E)- (C7H14)
  149. 1-Pentene, 4,4-dimethyl- (C7H14)
  150. Hexane, 2,2,3-trimethyl- (C9H20)
  151. Pentane, 2,2,3,3-tetramethyl- (C9H20)
  152. 4-Heptanol (C7H16O)
  153. Heptane, 3-ethyl- (C9H20)
  154. 1-Pentene, 2,3-dimethyl- (C7H14)
  155. 3-Hexene, 3-methyl-, (Z)- (C7H14)
  156. 2-Pentene, 4,4-dimethyl-, (E)- (C7H14)
  157. Pentane, 2,2,3,4-tetramethyl- (C9H20)
  158. 3-Octene, (Z)- (C8H16)
  159. Pentane, 3-methylene- (C6H12)
  160. Undecane, 2-methyl- (C12H26)
  161. 2-Hexene, 3-methyl-, (Z)- (C7H14)
  162. Hexane, 2,4,4-trimethyl- (C9H20)
  163. Heptane, 3,4-dimethyl- (C9H20)
  164. 7-Tetradecene, (Z)- (C14H28)
  165. 3-Heptanol (C7H16O)
  166. 2-Pentene, 4,4-dimethyl-, (Z)- (C7H14)
  167. Octane, 2,6-dimethyl- (C10H22)
  168. Heptane, 4-ethyl- (C9H20)
  169. Hexane, 2,3,4-trimethyl- (C9H20)
  170. 2-Pentene, 3,4-dimethyl-, (Z)- (C7H14)
  171. 2-Tridecene, (Z) (C13H26)
  172. 2-Tridecene, (E) (C13H26)
  173. Heptane, 3,5-dimethyl- (C9H20)
  174. 3-Tetradecene, (E)- (C14H28)
  175. 5-Tetradecene, (E)- (C14H28)
  176. 2-Nonene, (E)- (C9H18)
  177. 1-Hexene, 3-methyl- (C7H14)
  178. 1-Pentene, 3,3-dimethyl- (C7H14)
  179. 7-Tetradecene, (E)- (C14H28)
  180. 5-Tetradecene, (Z)- (C14H28)
  181. 4-Tetradecene, (Z)- (C14H28)
  182. 2-Pentene, 3,4-dimethyl-, (E)- (C7H14)
  183. Heptane, 4,4-dimethyl- (C9H20)
  184. 2-Decene, (E)- (C10H20)
  185. Octane, 2,3-dimethyl- (C10H22)
  186. 4-Tetradecene, (E)- (C14H28)
  187. Hexane, 2,3,3-trimethyl- (C9H20)
  188. cis-2-Nonene (C9H18)
  189. 2-Dodecene, (E)- (C12H24)
  190. Octane, 3-ethyl- (C10H22)
  191. 3-Nonene, (E)- (C9H18)
  192. 5-Decene, (E)- (C10H20)
  193. 3-Tetradecene, (Z)- (C14H28)
  194. 6-Tetradecene, (E)- (C14H28)
  195. Octane, 2,2-dimethyl- (C10H22)
  196. 4-Tridecene, (Z) (C13H26)
  197. 1-Butanol, 2-ethyl- (C6H14O)
  198. 2-Decene, (Z)- (C10H20)
  199. 3-Tridecene, (Z) (C13H26)
  200. 3-Tridecene, (E) (C13H26)
  201. Pentane, 2,3,3,4-tetramethyl- (C9H20)
  202. 4-Tridecene, (E) (C13H26)
  203. 3-Pentanol, 2-methyl- (C6H14O)
  204. 3-Heptanone, 5-methyl- (C8H16O)
  205. cis-3-Nonene (C9H18)
  206. trans--4-Nonene (C9H18)
  207. 2-Dodecene, (Z)- (C12H24)
  208. trans-4-Decene (C10H20)
  209. 2-Hexadecanone (C16H32O)
  210. 6-Tridecene, (Z) (C13H26)
  211. Tridecane, 3-methyl- (C14H30)
  212. Undecane, 4-methyl- (C12H26)
  213. 2-Tetradecanone (C14H28O)
  214. Hexane, 3,3,4-trimethyl- (C9H20)
  215. 3-Dodecene, (Z)- (C12H24)
  216. 3-Hexene, 2,2-dimethyl-, (Z)- (C8H16)
  217. Octane, 2,7-dimethyl- (C10H22)
  218. 1-Propanol, 2,2-dimethyl- (C5H12O)
  219. 3-Methylheptacosane (C28H58)
  220. 6-Undecanone (C11H22O)
  221. trans-3-Decene (C10H20)
  222. Octane, 3,3-dimethyl- (C10H22)
  223. cis-3-Decene (C10H20)
  224. 1-Pentene, 3,4-dimethyl- (C7H14)
  225. Pentane, 3-ethyl-2,4-dimethyl- (C9H20)
  226. 5-Tridecene, (Z) (C13H26)
  227. Undecane, 3-methyl- (C12H26)
  228. Undecane, 2,6-dimethyl- (C13H28)
  229. 5-Tridecene, (E) (C13H26)
  230. 6-Tridecene, (E) (C13H26)
  231. cis-4-Decene (C10H20)
  232. (Z)-5-Decene (C10H20)
  233. (Z)-4-Methyl-2-hexene (C7H14)
  234. 2-Undecene, (E)- (C11H22)
  235. Butanal, 2-ethyl- (C6H12O)
  236. Nonacosane, 3-methyl- (C30H62)
  237. 5-Undecene, (E)- (C11H22)
  238. 6-Dodecene, (Z)- (C12H24)
  239. 6-Dodecene, (E)- (C12H24)
  240. Pentane, 3-ethyl-2,2-dimethyl- (C9H20)
  241. cis-4-Nonene (C9H18)
  242. 4-Dodecene, (Z)- (C12H24)
  243. 5-Dodecene, (E)- (C12H24)
  244. 4-Dodecene, (E)- (C12H24)
  245. 5-Dodecene, (Z)- (C12H24)
  246. 2-Undecene, (Z)- (C11H22)
  247. Hexanal, 2-ethyl- (C8H16O)
  248. 3-Pentanol, 2,4-dimethyl- (C7H16O)
  249. 2-Hexene, 2,3-dimethyl- (C8H16)
  250. 2-Hexanol, 2-methyl- (C7H16O)
  251. 3-Undecene, (E)- (C11H22)
  252. 3-Methylpentacosane (C26H54)
  253. Pentadecane, 3-methyl- (C16H34)
  254. 3-Dodecene, (E)- (C12H24)
  255. Octane, 4-ethyl- (C10H22)
  256. 2-Hexene, 2,5-dimethyl- (C8H16)
  257. 13-Methylhentriacontane (C32H66)
  258. 2,3-Dimethyl-1-hexene (C8H16)
  259. Heptane, 2,4,6-trimethyl- (C10H22)
  260. 4,4-Dimethyl octane (C10H22)
  261. 2-Heptanol, 2-methyl- (C8H18O)
  262. Pentadecane, 2-methyl- (C16H34)
  263. 4-Undecene, (E)- (C11H22)
  264. Heptane, 2,2,4-trimethyl- (C10H22)
  265. 13-Methyltritriacontane (C34H70)
  266. Hexane, 4-ethyl-2-methyl- (C9H20)
  267. Octane, 3,5-dimethyl- (C10H22)
  268. 4-Octanol (C8H18O)
  269. Octane, 2,4-dimethyl- (C10H22)
  270. Heptane, 3,3,5-trimethyl- (C10H22)
  271. Tridecane, 2-methyl- (C14H30)
  272. 3-Undecene, (Z)- (C11H22)
  273. 4-Undecene, (Z)- (C11H22)
  274. 3-Heptene, 2-methyl-, (E)- (C8H16)
  275. Octane, 3,6-dimethyl- (C10H22)
  276. 1-Butanol, 3,3-dimethyl- (C6H14O)
  277. 3-Decanone (C10H20O)
  278. Heptane, 3-ethyl-2-methyl- (C10H22)
  279. Hentriacontane, 3-methyl- (C32H66)
  280. Heptadecane, 3-methyl- (C18H38)
  281. Hexane, 3-ethyl-3-methyl- (C9H20)
  282. Butanal, 3,3-dimethyl- (C6H12O)
  283. Octane, 2,5-dimethyl- (C10H22)
  284. 5-Undecene, (Z)- (C11H22)
  285. Hexane, 3-ethyl-2-methyl- (C9H20)
  286. Hexane, 2,2,5,5-tetramethyl- (C10H22)
  287. Heneicosane, 3-methyl- (C22H46)
  288. 3-Heptanone, 2-methyl- (C8H16O)
  289. Nonadecane, 3-methyl- (C20H42)
  290. 13-methylpentacosane (C26H54)
  291. 3-Methyltricosane (C24H50)
  292. 3,4-Diethyl hexane (C10H22)
  293. 17-Methyltritriacontane (C34H70)
  294. Undecane, 6-methyl- (C12H26)
  295. Hexane, 3-ethyl-4-methyl- (C9H20)
  296. Hexane, 3,3,4,4-tetramethyl- (C10H22)
  297. 2-Nonadecanone (C19H38O)
  298. 3-Pentanol, 2,2-dimethyl- (C7H16O)
  299. 15-methylnonacosane (C30H62)
  300. Pentane, 3-ethyl-2,3-dimethyl- (C9H20)
  301. 3-Hexanone, 2-methyl- (C7H14O)
  302. Heptadecane, 2-methyl- (C18H38)
  303. 3-Hexanol, 2-methyl- (C7H16O)
  304. 2-Pentanol, 2,4-dimethyl- (C7H16O)
  305. Heptane, 3,4,5-trimethyl- (C10H22)
  306. Tritriacontane, 3-methyl- (C34H70)
  307. Undecane, 2,4-dimethyl- (C13H28)
  308. 3-Hexanol, 2,2-dimethyl- (C8H18O)
  309. 5-Methylhentriacontane (C32H66)
  310. Octane, 4,5-dimethyl- (C10H22)
  311. Nonadecane, 2-methyl- (C20H42)
  312. 3-Hexanone, 5-methyl- (C7H14O)
  313. Heptane, 2,2,6-trimethyl- (C10H22)
  314. Heptane, 2,2,3-trimethyl- (C10H22)
  315. Tricosane, 2-methyl- (C24H50)
  316. 2-Methylpentacosane (C26H54)
  317. 7-Methylhentriacontane (C32H66)
  318. Heptane, 2,3,6-trimethyl- (C10H22)
  319. 3,7-dimethyl-nonacosane (C31H64)
  320. Pentane, 2,2,3,3,4-pentamethyl- (C10H22)
  321. Heptane, 3,3,4-trimethyl- (C10H22)
  322. Undecane, 2,9-dimethyl- (C13H28)
  323. Heptane, 2,2,5-trimethyl- (C10H22)
  324. 1-Pentanol, 2,2-dimethyl- (C7H16O)
  325. Heptane, 4-(1-methylethyl)- (C10H22)
  326. 3,9-dimethyltritriacontane (C35H72)
  327. Heptane, 2,5,5-trimethyl- (C10H22)
  328. 3-Heptanol, 5-methyl- (C8H18O)
  329. Octane, 3,4-dimethyl- (C10H22)
  330. 3,7-dimethyl-hentriacontane (C33H68)
  331. 2,2-Dimethyl-3-heptanone (C9H18O)
  332. Heptane, 2,3,5-trimethyl- (C10H22)
  333. Nonacosane, 2-methyl- (C30H62)
  334. 2-Methylhentriacontane (C32H66)
  335. Heptane, 2,4,4-trimethyl- (C10H22)
  336. Undecane, 4,6-dimethyl- (C13H28)
  337. Undecane, 3,5-dimethyl- (C13H28)
  338. Undecane, 4,5-dimethyl- (C13H28)
  339. Undecane, 5,6-dimethyl- (C13H28)
  340. Undecane, 3,4-dimethyl- (C13H28)
  341. Heptane, 5-ethyl-2-methyl- (C10H22)
  342. 13,17-Dimethyltetratriacontane (C36H74)
  343. 8-Pentadecanone (C15H30O)
  344. Hexane, 4-ethyl-2,2-dimethyl- (C10H22)
  345. Heptane, 2,3,4-trimethyl- (C10H22)
  346. Hexane, 2,2,3,5-tetramethyl- (C10H22)
  347. Hexane, 2,2,4,5-tetramethyl- (C10H22)
  348. Tritriacontane, 5-methyl- (C34H70)
  349. Heneicosane, 2-methyl (C22H46)
  350. Hexane, 2,3,4,4-tetramethyl- (C10H22)
  351. Pentane, 2,2,3,4,4-pentamethyl- (C10H22)
  352. Hexane, 2,2,3,4-tetramethyl- (C10H22)
  353. 3-Hexanol, 3-methyl- (C7H16O)
  354. Hexane, 2,3,4,5-tetramethyl- (C10H22)
  355. Hexane, 2,2,4,4-tetramethyl- (C10H22)
  356. Undecane, 2,3-dimethyl- (C13H28)
  357. Methyl n-hexadecyl ketone (C18H36O)
  358. Undecane, 2,5-dimethyl- (C13H28)
  359. 3-Hexanol, 3,5-dimethyl- (C8H18O)
  360. Hexane, 2,3,3,4-tetramethyl- (C10H22)
  361. Undecane, 5,7-dimethyl- (C13H28)
  362. Pentane, 3-ethyl-2,2,3-trimethyl- (C10H22)
  363. Hexane, 2,3,3,5-tetramethyl- (C10H22)
  364. Pentane, 3-ethyl-2,2,4-trimethyl (C10H22)
  365. 3,11-dimethyl-pentacosane (C27H56)
  366. 7-Tridecanone (C13H26O)
  367. Pentane, 2,4-dimethyl-3-(1-methylethyl)- (C10H22)
  368. 9-Heptadecanone (C17H34O)
  369. 13,23-Dimethylheptatriacontane (C39H80)
  370. Heptane, 4-ethyl-4-methyl- (C10H22)
  371. 10-Nonadecanone (C19H38O)
  372. Hexane, 3-ethyl-3,4-dimethyl- (C10H22)
  373. Heptane, 3-ethyl-4-methyl- (C10H22)
  374. Heptane, 4-ethyl-2-methyl- (C10H22)
  375. 3,7,11,15-tetramethyl-hentriacontane (C35H72)
  376. 3,7,11,15-tetramethyl-tritriacontane (C37H76)
  377. 3,7,11-trimethyl-hentriacontane (C34H70)
  378. 3-Hexanol, 5-methyl- (C7H16O)
  379. 4,8-dimethyl-dotriacontane (C34H70)
  380. 7,11-Dimethylhentriacontane (C33H68)
  381. 4,10-Dimethyltriacontane (C32H66)
  382. Undecane, 2,7-dimethyl- (C13H28)
  383. Pentane, 3-ethyl-2,3,4-trimethyl- (C10H22)
  384. 12-methyltricosane (C24H50)
  385. 3-Methylpentatriacontane (C36H74)
  386. 2-Methylheptacosane (C28H58)
  387. 13,17,21-Trimethylpentatriacontane (C38H78)
  388. Hexane, 3-ethyl-2,5-dimethyl- (C10H22)
  389. 11,15,19-Trimethylhentriacontane (C34H70)
  390. Heptane, 3,4,4-trimethyl- (C10H22)
  391. 11,15,19-Trimethyltritriacontane (C36H74)
  392. 14,18-Dimethyldotriacontane (C34H70)
  393. Hexane, 2-methyl-3-(1-methylethyl)- (C10H22)
  394. 5,11-dimethylpentacosane (C27H56)
  395. Hexane, 4-ethyl-2,3-dimethyl- (C10H22)
  396. Hexane, 4-ethyl-3,3-dimethyl- (C10H22)
  397. Hexane, 4-ethyl-2,4-dimethyl- (C10H22)
  398. Hexane, 3-ethyl-2,2-dimethyl- (C10H22)
  399. Hexane, 3-ethyl-2,4-dimethyl- (C10H22)
  400. Heptane, 4-ethyl-3-methyl- (C10H22)