Molecule ID: 61386

IUPAC Name: 3-methylbutyl dodecanoate

Description: The molecule is a fatty acid ester obtained by the formal condensation of dodecanoic acid with 3-methylbutan-1-ol. It has a role as a metabolite. It derives from an isoamylol.

SMILES: CCCCCCCCCCCC(=O)OCCC(C)C

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 7.0