Molecule ID: 6449835

IUPAC Name: (E,11Z)-11-[(3S)-3-pentyloxiran-2-ylidene]undec-9-enoic acid

Description: The molecule is a C18, polyunsaturated, epoxy fatty acid having double bonds at positions 9 and 11, and a (13S)-12,13-epoxy group. It is a polyunsaturated fatty acid, an epoxy fatty acid and a long-chain fatty acid. It derives from an octadeca-9,11-dienoic acid.

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

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

InChI: InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,14,16H,2-7,9-10,12-13,15H2,1H3,(H,19,20)/b11-8+,17-14-/t16-/m0/s1

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