Structure Database (LMSD)
Common Name
4,5-hexadienal
Systematic Name
4,5-hexadienal
Synonyms
3D model of 4,5-hexadienal
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)
KURWGNIBBUMVKB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3,6H,1,4-5H2
SMILES (Click to copy)
C=C=CCCC([H])=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
113.23
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.31
Molar Refractivity
29.01
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Created at
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Updated at
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