Molecule ID: 7799

IUPAC Name: ethyl octanoate

Description: The molecule is a fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and an octanoate ester.

SMILES: CCCCCCCC(=O)OCC

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

InChI: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.5