Structure Database (LMSD)
Common Name
Isocaprylic acid
Systematic Name
6-methyl-heptanoic acid
Synonyms
3D model of Isocaprylic 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)
OEOIWYCWCDBOPA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
SMILES (Click to copy)
C(CCCCC(C)C)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
161.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.29
Molar Refractivity
40.94
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Created at
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Updated at
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