Molecule ID: 3017826

IUPAC Name: 2-methylbutyl decanoate

Description: The molecule is a decanoate ester obtained by the formal condensation of the carboxy group of decanoic acid (capric acid) with the alcoholic hydroxy group of 2-methylbutan-1-ol. It has a role as a metabolite. It derives from a 2-methylbutan-1-ol.

SMILES: CCCCCCCCCC(=O)OCC(C)CC

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

InChI: InChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 5.9