Structure Database (LMSD)
Common Name
13,17,21-Trimethylpentatriacontane
Systematic Name
13,17,21-Trimethylpentatriacontane
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 13,17,21-Trimethylpentatriacontane
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
WWWYYEDTJKBCOF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C38H78/c1-6-8-10-12-14-16-18-19-21-23-25-27-31-37(4)33-29-35-38(5)34-28-32-36(3)30-26-24-22-20-17-15-13-11-9-7-2/h36-38H,6-35H2,1-5H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
665.96
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
14.64
Molar Refractivity
177.35
Admin
Created at
-
Updated at
-