Structure Database (LMSD)
Common Name
8-hydroxy-13,17-octadecadiene-9,11-diynoic acid
Systematic Name
8-hydroxy-13,17-octadecadiene-9,11-diynoic acid
Synonyms
- 13,17-Octadecadiene-9,11-diynoic acid, 8-hydroxy-
3D model of 8-hydroxy-13,17-octadecadiene-9,11-diynoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
HXOKXQYTUYIBDT-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,5-6,17,19H,1,3-4,9-10,12-13,15-16H2,(H,20,21)/b6-5-
SMILES (Click to copy)
C(CCCCCCC(O)C#CC#C/C=C\CCC=C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
327.85
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.59
Molar Refractivity
85.98
Admin
Created at
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Updated at
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