Molecule ID: 52921680

IUPAC Name: 3-(3-hydroxydecanoyloxy)decanoate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxydecanoyl-3-hydroxydecanoic acid; major species at pH 7.3. It is a conjugate base of a 3-hydroxydecanoyl-3-hydroxydecanoic acid.

SMILES: CCCCCCCC(O)CC(=O)OC(CCCCCCC)CC(=O)[O-]

SELFIES: [C][C][C][C][C][C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][O][C][Branch1][Branch2][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C20H38O5/c1-3-5-7-9-11-13-17(21)15-20(24)25-18(16-19(22)23)14-12-10-8-6-4-2/h17-18,21H,3-16H2,1-2H3,(H,22,23)/p-1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 6.5