Structure Database (LMSD)
Common Name
4-hexadecynoic acid
Systematic Name
4-hexadecynoic acid
Synonyms
- 4-Hexadecynoic acid
3D model of 4-hexadecynoic 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.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
RAFYBBFFLHLMJT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-11,14-15H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCC#CCCCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
295.02
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.78
Molar Refractivity
76.49
Admin
Created at
-
Updated at
25th Apr 2022