Structure Database (LMSD)
Common Name
19-methyl-heneicosanoic acid
Systematic Name
19-methyl-heneicosanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 19-methyl-heneicosanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CDGJKEUOLAMVSS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-3-21(2)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC(C)CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
404.10
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.75
Molar Refractivity
105.58
Admin
Created at
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Updated at
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