Molecule ID: 16061051

IUPAC Name: 8-[(2S,3Z)-3-[(Z)-oct-2-enylidene]oxiran-2-yl]octanoic acid

Description: The molecule is an epoxy fatty acid that is oxirane substituted by a (2Z)-oct-2-en-1-ylidene group and a 7-carboxyheptyl group at positions 2 and 3, respectively. It is a long-chain fatty acid, a polyunsaturated fatty acid and an epoxy fatty acid. It derives from a linoleic acid. It is a conjugate acid of a (9S),10-epoxy-(10,12Z)-octadecadienoate.

SMILES: CCCCC/C=C\C=C1/O[C@H]1CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b10-7-,16-13-/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 49.8 Ų
- LogP: 5.6