Molecule ID: 12921

IUPAC Name: 8-(2-octylcyclopropen-1-yl)octanoic acid

Description: The molecule is a long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group. It is a cyclopropenyl fatty acid, a long-chain fatty acid and a monounsaturated fatty acid. It derives from an octadec-9-enoic acid.

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

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

InChI: InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 5.8