Structure Database (LMSD)
Common Name
2-ethyl-2-hydroxy-butyric acid
Systematic Name
2-ethyl-2-hydroxy-butanoic acid
Synonyms
3D model of 2-ethyl-2-hydroxy-butyric 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)
LXVSANCQXSSLPA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
SMILES (Click to copy)
C(=O)(O)C(O)(CC)CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
136.09
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.91
Molar Refractivity
33.68
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Created at
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Updated at
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