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