Structure Database (LMSD)
Common Name
5,8,11-dodecatriynoic acid
Systematic Name
5,8,11-dodecatriynoic acid
Synonyms
- 5,8,11-Dodecatriynoic acid
3D model of 5,8,11-dodecatriynoic 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)
SGEFOJVMNSQUFC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h1H,3,6,9-11H2,(H,13,14)
SMILES (Click to copy)
C(CCCC#CCC#CCC#C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
215.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.66
Molar Refractivity
55.11
Admin
Created at
-
Updated at
25th Apr 2022