Molecule ID: 86583477

IUPAC Name: 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoate

Description: The molecule is a monounsaturated fatty acid anion that is the conjugate base of 9(10)-EpOME, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion, a monounsaturated fatty acid anion and an epoxyoctadecenoate. It is a conjugate base of a 9(10)-EpOME.

SMILES: CCCCC/C=C\CC1OC1CCCCCCCC(=O)[O-]

SELFIES: [C][C][C][C][C][/C][=C][\C][C][O][C][Ring1][Ring1][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/p-1/b10-7-

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