Molecule ID: 7824

IUPAC Name: methyl hexanoate

Description: The molecule is a fatty acid methyl ester derived from hexanoic (caproic acid). It has a role as a plant metabolite and a flavouring agent. It is a fatty acid methyl ester and a hexanoate ester.

SMILES: CCCCCC(=O)OC

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

InChI: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.5