Structure Database (LMSD)
Common Name
2E,6E-Octadienal
Systematic Name
2E,6E-Octadienal
Synonyms
3D model of 2E,6E-Octadienal
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)
CBXNRMOWVZUZQA-BLWKUPHCSA-N
InChi (Click to copy)
InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2+,7-6+
SMILES (Click to copy)
C(/C=C/CC/C=C/C)(=O)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
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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