Structure Database (LMSD)
Common Name
Isostearic acid
Systematic Name
16-methyl-heptadecanoic acid
Synonyms
- 16-methyl margaric acid
- Isooctadecanoic acid
3D model of Isostearic 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)
XDOFQFKRPWOURC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCC(C)C)CCCCCCCCC(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
334.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.19
Molar Refractivity
87.11
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Created at
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Updated at
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