Structure Database (LMSD)
Common Name
2,2-dimethyl-hexanoic acid
Systematic Name
2,2-dimethyl-hexanoic acid
Synonyms
3D model of 2,2-dimethyl-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)
YTTWDTVYXAEAJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-4-5-6-8(2,3)7(9)10/h4-6H2,1-3H3,(H,9,10)
SMILES (Click to copy)
CCCCC(C)(C)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
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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