Molecule ID: 7635

IUPAC Name: 2-ethylhexyl acetate

Description: The molecule is an acetate ester that is hexyl acetate substituted by an ethyl group at position 2. It has a role as a metabolite. It derives from a hexan-1-ol.

SMILES: CCCCC(CC)COC(C)=O

SELFIES: [C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.2