Structure Database (LMSD)
Common Name
Methyl octadecanoate
Systematic Name
Methyl octadecanoate
Synonyms
- WE(1:0/18:0)
3D model of Methyl octadecanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Stearic acid methyl ester is an esterified version of the free acid which is less water soluble but more amenable for the formulation of stearate-containing diets and dietary supplements. Stearic acid is a long-chain saturated fatty acid that can be derived from either animal fats or vegetable oils. Compared to other long-chain saturated fatty acids that are hypercholesterolemic, experimental diets high in stearic acid (9.3-11.8% of energy) do not raise plasma total cholesterol or LDL cholesterol concentrations but may slightly reduce HDL cholesterol concentrations.1,2
This information has been provided by Cayman Chemical
References
References
String Representations
InChiKey (Click to copy)
HPEUJPJOZXNMSJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
352.20
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.42
Molar Refractivity
91.56
Admin
Created at
-
Updated at
19th Feb 2025