Molecule ID: 12367058

IUPAC Name: 6-pentanoylcyclohexene-1-carboxylic acid

Description: The molecule is a cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted by a pentanoyl group at position 6. It is an oxo carboxylic acid, an alpha,beta-unsaturated monocarboxylic acid, a ketone and a cyclohexenecarboxylic acid.

SMILES: CCCCC(=O)C1CCCC=C1C(=O)O

SELFIES: [C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H18O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h7,9H,2-6,8H2,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 2.3