Structure Database (LMSD)
Common Name
Heptan-3-one
Systematic Name
Heptan-3-one
Synonyms
3D model of Heptan-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)
NGAZZOYFWWSOGK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
SMILES (Click to copy)
CCC(=O)CCCC
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
135.81
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.16
Molar Refractivity
34.82
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Created at
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Updated at
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