Structure Database (LMSD)
Common Name
13-tetradecynoic acid
Systematic Name
13-tetradecynoic acid
Synonyms
- 13-Tetradecynoic acid
3D model of 13-tetradecynoic 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)
JNXXRQLAAJXERE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h1H,3-13H2,(H,15,16)
SMILES (Click to copy)
C(CCCCCCCCCCCC#C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
260.42
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.00
Molar Refractivity
67.26
Admin
Created at
-
Updated at
25th Apr 2022