Structure Database (LMSD)
Common Name
Isotridecanoic acid
Systematic Name
11-methyl-dodecanoic acid
Synonyms
- 11-methyllauric acid
- Isoundecylic acid
3D model of Isotridecanoic 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)
SIOLDWZBFABPJU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
SMILES (Click to copy)
C(C(C)C)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
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Created at
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Updated at
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