Structure Database (LMSD)
Common Name
SFE 4:1(2E)/4:0
Systematic Name
(E)-2-Butenyl butyrate
Synonyms
- WE(4:1(2E)/4:0)
3D model of SFE 4:1(2E)/4:0
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
References
String Representations
InChiKey (Click to copy)
RTMMLEZUIUUHHW-HWKANZROSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
SMILES (Click to copy)
O=C(CCC)OC/C=C/C
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
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.19
Molar Refractivity
41.17
Admin
Created at
-
Updated at
2nd Apr 2025