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
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
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
Admin
Created at
-
Updated at
-