Structure Database (LMSD)
Common Name
2,4-Dimethyl-2E,4E-hexadienal
Systematic Name
2,4-Dimethyl-2E,4E-hexadienal
Synonyms
3D model of 2,4-Dimethyl-2E,4E-hexadienal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase
String Representations
InChiKey (Click to copy)
JLRXGFYYIORWGF-NSLJXJERSA-N
InChi (Click to copy)
InChI=1S/C8H12O/c1-4-7(2)5-8(3)6-9/h4-6H,1-3H3/b7-4+,8-5+
SMILES (Click to copy)
C(/C(/C)=C/C(/C)=C/C)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
147.83
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.10
Molar Refractivity
39.25
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Created at
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Updated at
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