Structure Database (LMSD)
Common Name
5Z,7E-Dodecadienal
Systematic Name
5Z,7E-Dodecadienal
Synonyms
3D model of 5Z,7E-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)
LDQDYNHCLZNOFB-MDAAKZFYSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5+,8-7-
SMILES (Click to copy)
C(CCC/C=C\C=C\CCCC)(=O)[H]
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
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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