Structure Database (LMSD)
Common Name
4-Methylpentan-2-one
Systematic Name
4-Methylpentan-2-one
Synonyms
3D model of 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)
NTIZESTWPVYFNL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
SMILES (Click to copy)
CC(=O)CC(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
118.51
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.62
Molar Refractivity
30.14
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Created at
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Updated at
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