Structure Database (LMSD)
Common Name
5-Methylhexan-2-one
Systematic Name
5-Methylhexan-2-one
Synonyms
3D model of 5-Methylhexan-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)
FFWSICBKRCICMR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
SMILES (Click to copy)
CC(=O)CCC(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
135.81
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.01
Molar Refractivity
34.75
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Created at
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Updated at
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