Structure Database (LMSD)
Common Name
7-hexadecynoic acid
Systematic Name
7-hexadecynoic acid
Synonyms
- 7-Hexadecynoic acid
- Palmitolic acid
3D model of 7-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.
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String Representations
InChiKey (Click to copy)
XNLVWARRDCVUBL-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/h2-8,11-15H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCC#CCCCCCCCC)(=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