Molecule ID: 439642

IUPAC Name: 7-[(1S,2S)-2-octylcyclopentyl]heptanoic acid

Description: The molecule is a carbocyclic fatty acid composed of heptanoic acid having a (1S,2S)-2-octylcyclopentyl substituent at position 7. It is a saturated fatty acid, a carbocyclic fatty acid and a long-chain fatty acid.

SMILES: CCCCCCCC[C@H]1CCC[C@@H]1CCCCCCC(=O)O

SELFIES: [C][C][C][C][C][C][C][C][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 8.5