Structure Database (LMSD)
Common Name
Hexan-2-one
Systematic Name
Hexan-2-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Hexan-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)
QQZOPKMRPOGIEB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
118.51
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.77
Molar Refractivity
30.21
Admin
Created at
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Updated at
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