Structure Database (LMSD)
Common Name
6-Methyl-2-hepten-4-one
Systematic Name
6-Methyl-2-hepten-4-one
Synonyms
3D model of 6-Methyl-2-hepten-4-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)
VJQKJGLHKJYTQM-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4+
SMILES (Click to copy)
C/C=C/C(=O)CC(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
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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