Molecule ID: 16617

IUPAC Name: 3-methylbutyl hexanoate

Description: The molecule is a fatty acid ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with the alcoholic hydroxy group of 3-methylbutan-1-ol (isoamylol). It has a role as a metabolite and a fragrance. It derives from an isoamylol.

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

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

InChI: InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.7