Molecule ID: 16255

IUPAC Name: 3-methylbutyl octanoate

Description: The molecule is a fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid. It has a role as a metabolite. It derives from an isoamylol and an octanoic acid.

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

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

InChI: InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.8