Molecule ID: 129626652

IUPAC Name: 8-[3-(7-hydroxyoctyl)oxiran-2-yl]octanoate

Description: The molecule is an (omega-1)-hydroxy fatty acid anion that is the conjugate base of 9,10-epoxy-17-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It derives from a 9,10-epoxyoctadecanoate. It is a conjugate base of a 9,10-epoxy-17-hydroxyoctadecanoic acid.

SMILES: CC(O)CCCCCCC1OC1CCCCCCCC(=O)[O-]

SELFIES: [C][C][Branch1][C][O][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/C18H34O4/c1-15(19)11-7-5-6-9-13-17-16(22-17)12-8-3-2-4-10-14-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)/p-1

Molecular Properties:
- Polar Surface Area: 72.9 Ų
- LogP: 5.1