Structure Database (LMSD)
Common Name
Propylene glycol stearate
Systematic Name
2-hydroxypropyl octadecanoate
Synonyms
LM ID
LMFA07011008
Formula
Exact Mass
Calculate m/z
342.313395
Sum Composition
Status
Curated
3D model of Propylene glycol stearate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FKOKUHFZNIUSLW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3
SMILES (Click to copy)
CC(O)COC(CCCCCCCCCCCCCCCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
395.59
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.74
Molar Refractivity
103.19
Admin
Created at
-
Updated at
6th Jun 2022