Structure Database (LMSD)
Common Name
butyl 2E,4E-hexadienoate
Systematic Name
butyl 2E,4E-hexadienoate
Synonyms
- WE(4:0/6:2(2E,4E))
No other lipid differing only in stereochemistry/bond geometry found
3D model of butyl 2E,4E-hexadienoate
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
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
SCVZKPKDMFXESQ-VSAQMIDASA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3,5,7-8H,4,6,9H2,1-2H3/b5-3+,8-7+
SMILES (Click to copy)
O=C(/C=C/C=C/C)OCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
191.22
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.75
Molar Refractivity
50.31
Admin
Created at
-
Updated at
6th Jun 2022