Molecule ID: 1256

IUPAC Name: 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid and a cyclohexenecarboxylic acid. It has a role as an antineoplastic agent, a human metabolite and a mouse metabolite. It is a conjugate acid of a perillate.

SMILES: C=C(C)C1CC=C(C(=O)O)CC1

SELFIES: [C][=C][Branch1][C][C][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2]

InChI: InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.7