Structure Database (LMSD)
Common Name
5-undecynoic acid
Systematic Name
5-undecynoic acid
Synonyms
- 5-Undecynoic acid
3D model of 5-undecynoic 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)
UFVXTAPZDFGWBH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-5,8-10H2,1H3,(H,12,13)
SMILES (Click to copy)
C(CCCC#CCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
208.52
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.82
Molar Refractivity
53.40
Admin
Created at
-
Updated at
25th Apr 2022