Molecule ID: 8091

IUPAC Name: methyl octanoate

Description: The molecule is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. It has a role as a metabolite. It is a fatty acid methyl ester and an octanoate ester.

SMILES: CCCCCCCC(=O)OC

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

InChI: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.6