Structure Database (LMSD)
Common Name
Ethyl (E)-2-octenoate
Systematic Name
ethyl (2Z)-oct-2-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl (E)-2-octenoate
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)
AISZSTYLOVXFII-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8-
SMILES (Click to copy)
O=C(OCC)/C=C\CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.97
Molar Refractivity
50.41
Admin
Created at
-
Updated at
6th Jun 2022