Structure Database (LMSD)
Common Name
5-Methylhexan-3-one
Systematic Name
5-Methylhexan-3-one
Synonyms
3D model of 5-Methylhexan-3-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)
DXVYLFHTJZWTRF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
SMILES (Click to copy)
CCC(=O)CC(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
Admin
Created at
-
Updated at
-