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
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
Other Databases
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