Molecule ID: 8122

IUPAC Name: ethyl octadecanoate

Description: The molecule is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. It has a role as a plant metabolite. It is a long-chain fatty acid ethyl ester and an octadecanoate ester.

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC

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

InChI: InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 8.9