Structure Database (LMSD)
Common Name
cis-epsilon-octenoic acid
Systematic Name
6Z-octenoic acid
Synonyms
- cis-6-octenoic acid
- C8:1n-2
3D model of cis-epsilon-octenoic 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
Filter by species:
ⓘ
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.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
OTJVLQGVNKNLCB-IHWYPQMZSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,4-7H2,1H3,(H,9,10)/b3-2-
SMILES (Click to copy)
C(CCC/C=C\C)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.21
Molar Refractivity
40.92
Admin
Created at
-
Updated at
25th Apr 2022