Structure Database (LMSD)
Common Name
6E-Octene-2,4-diynoic acid
Systematic Name
6E-Octene-2,4-diynoic acid
Synonyms
3D model of 6E-Octene-2,4-diynoic 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
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
PLQITNSZGATMPR-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C8H6O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,1H3,(H,9,10)/b3-2+
SMILES (Click to copy)
C(C#CC#C/C=C/C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
148.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.65
Molar Refractivity
38.00
Admin
Created at
-
Updated at
25th Apr 2022