Structure Database (LMSD)
Common Name
6,8,10-Pentadecatriynoic acid
Systematic Name
Pentadecatri-6,8,10-ynoic acid
Synonyms
3D model of 6,8,10-Pentadecatriynoic 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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References
String Representations
InChiKey (Click to copy)
ZRUBGTBVDWZJCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-4,11-14H2,1H3,(H,16,17)
SMILES (Click to copy)
C(CCCCC#CC#CC#CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
267.16
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.83
Molar Refractivity
68.96
Admin
Created at
-
Updated at
25th Apr 2022