Structure Database (LMSD)
Common Name
Anteisotridecanoic acid
Systematic Name
10-methyl-dodecanoic acid
Synonyms
- (+)-10-methyl lauric acid
3D model of Anteisotridecanoic 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)
YETWOCQNUTWSQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-12(2)10-8-6-4-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
SMILES (Click to copy)
C(C)(CC)CCCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
248.40
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.24
Molar Refractivity
64.03
Admin
Created at
-
Updated at
20th Oct 2021