Molecule ID: 5716902

IUPAC Name: 8-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid

Description: The molecule is a carbocyclic fatty acid that is octanoic (caprylic) acid substituted at position 8 by a 3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl group (the 1R,2R-diastereomer). It is a carbocyclic fatty acid, an oxo fatty acid and a monounsaturated fatty acid. It derives from an octanoic acid. It is a conjugate acid of an 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate.

SMILES: CC/C=C\C[C@H]1C(=O)CC[C@H]1CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 4.7