Molecule ID: 20201

IUPAC Name: 2-hydroxyethyl hexadecanoate

Description: The molecule is a hexadecanoate ester obtained by the formal condensation of carboxy group of hexadecaoic acid with one of the hydroxy groups of ethylene glycol It has a role as a Brassica napus metabolite. It is a hexadecanoate ester and a primary alcohol. It derives from an ethylene glycol.

SMILES: CCCCCCCCCCCCCCCC(=O)OCCO

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

InChI: InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 6.8