Structure Database (LMSD)
Common Name
Isotricosanoic acid
Systematic Name
21-methyl-docosanoic acid
Synonyms
3D model of Isotricosanoic acid
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)
BQKXBLINRIKSGC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H46O2/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCC(C)C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
421.40
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.14
Molar Refractivity
110.20
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Created at
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Updated at
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