Structure Database (LMSD)
Common Name
4-Hydroxy-4-methylpentan-2-one
Systematic Name
4-Hydroxy-4-methylpentan-2-one
Synonyms
3D model of 4-Hydroxy-4-methylpentan-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
SWXVUIWOUIDPGS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
SMILES (Click to copy)
CC(=O)CC(C)(O)C
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
127.30
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.02
Molar Refractivity
32.11
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Created at
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Updated at
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