Molecule ID: 121738

IUPAC Name: 2-methylpropyl decanoate

Description: The molecule is a decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol. It has a role as a metabolite. It derives from an isobutanol.

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

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

InChI: InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 5.5