Structure Database (LMSD)
Common Name
2-methyl-hexanoic acid
Systematic Name
2-methyl-hexanoic acid
Synonyms
3D model of 2-methyl-hexanoic 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)
CVKMFSAVYPAZTQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
SMILES (Click to copy)
C(CC)CC(C)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
144.60
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.90
Molar Refractivity
36.32
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Created at
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Updated at
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