Structure Database (LMSD)
Common Name
(Z)-4-Dodecenal
Systematic Name
(4E)-tridec-4-enal
Synonyms
3D model of (Z)-4-Dodecenal
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)
SMJHEMUFVYWLOU-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,13H,2-8,11-12H2,1H3/b10-9+
SMILES (Click to copy)
CCCCCCCC/C=C/CCC=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
236.97
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.27
Molar Refractivity
62.43
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Created at
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Updated at
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