Structure Database (LMSD)
Common Name
1-Hepten-3-one
Systematic Name
1-Hepten-3-one
Synonyms
3D model of 1-Hepten-3-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)
OYLCUJRJCUXQBQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
SMILES (Click to copy)
C=CC(=O)CCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
133.17
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.93
Molar Refractivity
34.73
Admin
Created at
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Updated at
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