Molecule ID: 11517

IUPAC Name: butyl octanoate

Description: The molecule is an octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol. It has a role as a metabolite. It derives from a butan-1-ol.

SMILES: CCCCCCCC(=O)OCCCC

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

InChI: InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.4