Information from the InChI

There are no matching entries in the database for this IUPAC International Chemical Identifier. The following information was obtained from the identifier.

• Formula: C₁₀H₁₈O
• Molecular weight: 154.2493
• IUPAC Standard InChI:
  • InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7?,8-,9-,10-/m1/s1
• IUPAC Standard InChIKey: DZVXRFMREAADPP-NPTNVHDASA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
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• Stereoisomers:
  • neo-Thujan-3-ol
  • neo-Isothujan-3-ol
  • Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, [1S-(1α,3α,4α,5α)]-
  • Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1α,3β,4β,5α)-
  • Thujol
  • Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-
  • (1S,3S,4S,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-ol
  • cis-Thujanol
  • Iso-3-Thujol
  • Neo-3-Thujol
  • Neo iso-3-Thujol
  • neo-iso-Thujanol
  • iso-3-Thujanol

Contents of the identifier

Identifier version: 1

Main section

• Formula: C10H18O
• Connectivity: 1-6(2)10-4-8(10)7(3)9(11)5-10
• Hydrogen: 6-9,11H,4-5H2,1-3H3
• sp³ Stereo: 7u,8-,9-,10-
• Stereo type: 1