Structure Database (LMSD)
Common Name
3-Hydroxy-3-methylbutan-2-one
Systematic Name
3-Hydroxy-3-methylbutan-2-one
Synonyms
3D model of 3-Hydroxy-3-methylbutan-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
BNDRWEVUODOUDW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
SMILES (Click to copy)
CC(=O)C(C)(O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
110.00
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.63
Molar Refractivity
27.49
Admin
Created at
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Updated at
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