Structure Database (LMSD)
Common Name
9Z,12Z,15Z-Octadecatrienal
Systematic Name
9Z,12Z,15Z-Octadecatrienal
Synonyms
3D model of 9Z,12Z,15Z-Octadecatrienal
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)
TUCMDDWTBVMRTP-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\C/C=C\CC)(=O)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
318.19
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.77
Molar Refractivity
85.33
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Created at
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Updated at
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