Structure Database (LMSD)
Common Name
3,4-Dimethylheptan-2-one
Systematic Name
3,4-Dimethylheptan-2-one
Synonyms
3D model of 3,4-Dimethylheptan-2-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
HLPAYTLTGGTXHJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-5-6-7(2)8(3)9(4)10/h7-8H,5-6H2,1-4H3
SMILES (Click to copy)
CC(=O)C(C)C(C)CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
170.41
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.65
Molar Refractivity
43.92
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Created at
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Updated at
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