Molecule ID: 52921681

IUPAC Name: 3-(3-hydroxydecanoyloxy)decanoic acid

Description: The molecule is a carboxylic ester that is the O-3-hydroxydecanoyl derivative of 3-hydroxydecanoic acid. It is a hydroxy monocarboxylic acid and a carboxylic ester. It is a conjugate acid of a 3-hydroxydecanoyl-3-hydroxydecanoate.

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]

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)

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 5.8