Molecule ID: 86840

IUPAC Name: 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid

Description: The molecule is a monoterpenoid that is 6,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a carboxy group at position 2. It has a role as a human xenobiotic metabolite, a human urinary metabolite and a plant metabolite. It is a monoterpenoid, an alpha,beta-unsaturated monocarboxylic acid and a bridged compound. It derives from an alpha-pinene.

SMILES: CC1(C)C2CC=C(C(=O)O)C1C2

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

InChI: InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.2