Structure Database (LMSD)
Common Name
12-oxo-5E,8E,10Z-dodecatrienoic acid
Systematic Name
12-oxo-5E,8E,10Z-dodecatrienoic acid
Synonyms
3D model of 12-oxo-5E,8E,10Z-dodecatrienoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZRIOISYGDYRQIK-JDNZBGOLSA-N
InChi (Click to copy)
InChI=1S/C12H16O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h2-5,7,9,11H,1,6,8,10H2,(H,14,15)/b4-2+,5-3+,9-7-
SMILES (Click to copy)
C(CCC/C=C/C/C=C/C=C\C([H])=O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
229.33
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
2.50
Molar Refractivity
59.59
Admin
Created at
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Updated at
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