Structure Database (LMSD)
Common Name
4-Methyl-1-hepten-3-one
Systematic Name
4-Methyl-1-hepten-3-one
Synonyms
3D model of 4-Methyl-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)
FMZDFRXBZBPNSU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O/c1-4-6-7(3)8(9)5-2/h5,7H,2,4,6H2,1,3H3
SMILES (Click to copy)
C=CC(=O)C(C)CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
150.47
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.18
Molar Refractivity
39.28
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Created at
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Updated at
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