Structure Database (LMSD)
Common Name
5-Methylheptan-3-one
Systematic Name
5-Methylheptan-3-one
Synonyms
3D model of 5-Methylheptan-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)
PSBKJPTZCVYXSD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
SMILES (Click to copy)
CCC(=O)CC(C)CC
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
153.11
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.40
Molar Refractivity
39.37
Admin
Created at
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Updated at
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