Structure Database (LMSD)
Common Name
Ethyl (4Z)-4,7-octadienoate
Systematic Name
ethyl (4E)-octa-4,7-dienoate
Synonyms
3D model of Ethyl (4Z)-4,7-octadienoate
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)
LNOWXPKCCJROHI-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+
SMILES (Click to copy)
CCOC(=O)CC/C=C/CC=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
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