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: C₈H₁₂O
• Molecular weight: 124.1803
• IUPAC Standard InChI:
  • InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4-,7-6
• IUPAC Standard InChIKey: LWRKMRFJEUFXIB-DQQIWROPSA-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:
  • 3,5-Octadien-2-one, (E,E)-
  • 3,5-Octadien-2-one
  • (E,Z)-3,5-octadien-2-one
  • (Z,E)-3,5-octadien-2-one
  • (Z,Z)-octa-3,5-dien-2-one
  • (E,E)-3,5-Octadien-2-one
  • 3,5-Octadien-2-one, isomer # 1
  • 3,5-Octadien-2-one, isomer # 2
  • (E,Z)-3,5-Octadien-2-one
  • 3,5-Octadien-2-one, #2

Contents of the identifier

Identifier version: 1

Main section

• Formula: C8H12O
• Connectivity: 1-3-4-5-6-7-8(2)9
• Hydrogen: 4-7H,3H2,1-2H3
• Double bond stereo: 5-4-,7-6