Molecule ID: 13174

IUPAC Name: butan-2-yl butanoate

Description: The molecule is a butyrate ester obtained by the formal condensation of butyric acid with butan-2-ol. It has a role as a metabolite. It derives from a butan-2-ol.

SMILES: CCCC(=O)OC(C)CC

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

InChI: InChI=1S/C8H16O2/c1-4-6-8(9)10-7(3)5-2/h7H,4-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.5