Molecule ID: 7775

IUPAC Name: 2-methylpropyl hexanoate

Description: The molecule is a hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol. It has a role as a metabolite. It derives from an isobutanol.

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

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

InChI: InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.4