Structure Database (LMSD)
Common Name
Caproleic acid
Systematic Name
9-decenoic acid
Synonyms
- 9-decylenic acid
- C10:1n-1
3D model of Caproleic 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)
KHAVLLBUVKBTBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.99
Molar Refractivity
50.15
Admin
Created at
-
Updated at
25th Apr 2022