Structure Database (LMSD)
Common Name
4-hexynoic acid
Systematic Name
4-hexynoic acid
Synonyms
- 4-Hexynoic acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of 4-hexynoic 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)
VTZDPQGGOUEESD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h4-5H2,1H3,(H,7,8)
SMILES (Click to copy)
C(CCC#CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
122.02
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
0.87
Molar Refractivity
30.32
Admin
Created at
-
Updated at
25th Apr 2022