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: C₉H₁₆O₂
• Molecular weight: 156.2221
• IUPAC Standard InChI:
  • InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5
• IUPAC Standard InChIKey: XDEGQMQKHFPBEW-SBRZMKMUSA-N
• Connectivity:
• 2-d Mol File from the identifier
• Canonical atom numbers:
  Note: stereochemistry is currently not indicated in the items above.
• Permanent link for this search. Use this link for bookmarking this species for future reference.
• Stereoisomers:
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-
  • 2-Methyl propyl 2-methyl 2-butenoate

Contents of the identifier

Identifier version: 1

Main section

• Formula: C9H16O2
• Connectivity: 1-5-8(4)9(10)11-6-7(2)3
• Hydrogen: 5,7H,6H2,1-4H3
• Double bond stereo: 8-5