Structure Database (LMSD)
Common Name
Anteisohexadecanoic acid
Systematic Name
13-methyl-pentadecanoic acid
Synonyms
3D model of Anteisohexadecanoic 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)
WWASUAHHCLARMF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCCCC(C)CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
300.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.41
Molar Refractivity
77.88
Admin
Created at
-
Updated at
20th Oct 2021