Structure Database (LMSD)
Common Name
8-oxo-9,11-octadecadiynoic acid
Systematic Name
8-oxo-9,11-octadecadiynoic acid
Synonyms
- 9,11-Octadecadiynoic acid, 8-oxo-
3D model of 8-oxo-9,11-octadecadiynoic 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)
MNEYSZJSCYXZQM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2-6,9-10,12-13,15-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCC(=O)C#CC#CCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
330.49
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.96
Molar Refractivity
84.66
Admin
Created at
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Updated at
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