Structure Database (LMSD)
Common Name
Isolauric acid
Systematic Name
10-methyl-undecanoic acid
Synonyms
- 10-methyl-hendecanoic acid
- Isododecanoic acid
3D model of Isolauric 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)
QJRRBVNPIKYRQJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-11(2)9-7-5-3-4-6-8-10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14)
SMILES (Click to copy)
C(C)(C)CCCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
231.10
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.85
Molar Refractivity
59.41
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Created at
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Updated at
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