Structure Database (LMSD)
Common Name
4,5-Dimethyl-4-hexen-3-one
Systematic Name
4,5-Dimethyl-4-hexen-3-one
Synonyms
3D model of 4,5-Dimethyl-4-hexen-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)
CDMNXIBTIAFPBU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O/c1-5-8(9)7(4)6(2)3/h5H2,1-4H3
SMILES (Click to copy)
CCC(=O)/C(/C)=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
150.47
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.32
Molar Refractivity
39.35
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Created at
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Updated at
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