Molecule ID: 617319

IUPAC Name: 2-hexadecanoyloxyhexadecyl hexadecanoate

Description: The molecule is a wax ester resulting from the formal condensation of both the hydroxy groups of hexadecane-1,2-diol with two molecules of palmitic acid. It is a hexadecanoate ester and a wax ester. It derives from a hexadecanoic acid and a 1,2-hexadecanediol.

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

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

InChI: InChI=1S/C48H94O4/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-47(49)51-45-46(42-39-36-33-30-27-24-21-18-15-12-9-6-3)52-48(50)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 21.9