Structure Database (LMSD)
Common Name
4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid
Systematic Name
4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid
Synonyms
3D model of 4-oxo-9Z,11Z,13E,15E-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)
ZYOSGENSARGRME-BEGPLMEHSA-N
InChi (Click to copy)
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3+,6-5+,8-7-,10-9-
SMILES (Click to copy)
C(CCC(=O)CCCC/C=C\C=C/C=C/C=C/CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
330.49
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.62
Molar Refractivity
87.20
Admin
Created at
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Updated at
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