Structure Database (LMSD)
Common Name
5E,9Z,12Z,15Z-Octadecatetraenoic acid
Systematic Name
5E,9Z,12Z,15Z-Octadecatetraenoic acid
Synonyms
- 5,9,12,15-Octadecatetraenoic acid, (5E,9Z,12Z,15Z)-
3D model of 5E,9Z,12Z,15Z-Octadecatetraenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DNOBNGNBPVOMLW-TWMAVKMASA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,13-14H,2,5,8,11-12,15-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,14-13+
SMILES (Click to copy)
C(CCC/C=C/CC/C=C\C/C=C\C/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
324.34
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.44
Molar Refractivity
86.81
Admin
Created at
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Updated at
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