Structure Database (LMSD)
Common Name
Ethyl sorbate
Systematic Name
ethyl (2E,4E)-hexa-2,4-dienoate
Synonyms
3D model of Ethyl sorbate
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
String Representations
InChiKey (Click to copy)
OZZYKXXGCOLLLO-TWTPFVCWSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
SMILES (Click to copy)
C(=C/C=C/C)\C(=O)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
156.62
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.97
Molar Refractivity
41.08
Admin
Created at
-
Updated at
6th Jun 2022