Structure Database (LMSD)
Common Name
6-hydroxy-7E,9E-Octadecadiene-11,13,15,17-tetraynoic acid
Systematic Name
6-hydroxy-7E,9E-Octadecadiene-11,13,15,17-tetraynoic acid
Synonyms
LM ID
LMFA01030723
Formula
Exact Mass
Calculate m/z
280.109945
Sum Composition
Status
Active
3D model of 6-hydroxy-7E,9E-Octadecadiene-11,13,15,17-tetraynoic 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)
GOOGOKNSXZDSND-QDCWQMMGSA-N
InChi (Click to copy)
InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9+,14-11+
SMILES (Click to copy)
C(CCCCC(O)/C=C/C=C/C#CC#CC#CC#C)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
317.29
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
2.03
Molar Refractivity
83.06
Admin
Created at
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Updated at
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