Molecule ID: 10416

IUPAC Name: 7-(2-octylcyclopropen-1-yl)heptanoic acid

Description: The molecule is a long-chain cyclopropenyl fatty acid comprising 8-heptadecenoic acid having a cyclopropene ring arising from the linking of C-8 and C-9 by a methylene substituent. It is a cyclopropenyl fatty acid, a long-chain fatty acid and a monounsaturated fatty acid.

SMILES: CCCCCCCCC1=C(CCCCCCC(=O)O)C1

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

InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 6.2