Structure Database (LMSD)
Common Name
9E,11-Dodecadienal
Systematic Name
9E,11-Dodecadienal
Synonyms
3D model of 9E,11-Dodecadienal
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)
QQGSJQOOBIWRBK-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,12H,1,5-11H2/b4-3+
SMILES (Click to copy)
C(CCCCCCC/C=C/C=C)(=O)[H]
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
217.03
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
3.66
Molar Refractivity
57.72
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Created at
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Updated at
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