Molecule ID: 46878374

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

Description: The molecule is a long-chain unsaturated fatty acid anion that is the conjugate base of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid arising from deprotonation of the carboxylic acid function. It is a long-chain fatty acid anion and a polyunsaturated fatty acid anion. It is a conjugate base of a (9Z,13S)-12,13-epoxyoctadeca-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-1]

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)/p-1/b11-8-,17-14-/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 52.7 Ų
- LogP: 6.2