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
Main
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
References
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