Structure Database (LMSD)
Common Name
8-heptadecynoic acid
Systematic Name
8-heptadecynoic acid
Synonyms
- 8-Heptadecynoic acid
3D model of 8-heptadecynoic 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)
JXFYGWGDTRNNEQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-8,11-16H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCC#CCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
312.32
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.17
Molar Refractivity
81.11
Admin
Created at
-
Updated at
25th Apr 2022