Structure Database (LMSD)
Common Name
6-hydroxy-7Z,9E-Octadecadiene-11,13,15,17-tetraynoic acid
Systematic Name
6-hydroxy-7Z,9E-Octadecadiene-11,13,15,17-tetraynoic acid
Synonyms
LM ID
LMFA01030725
Formula
Exact Mass
Calculate m/z
280.109945
Sum Composition
Status
Active
3D model of 6-hydroxy-7Z,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
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GOOGOKNSXZDSND-POLRJCGMSA-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
Other Databases
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
-
Updated at
-