Structure Database (LMSD)
Common Name
cis-Ethyl 4-heptenoate
Systematic Name
ethyl (4Z)-hept-4-enoate
Synonyms
3D model of cis-Ethyl 4-heptenoate
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)
GITGIBUELGTBSG-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
SMILES (Click to copy)
CCOC(CC/C=C\CC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
176.56
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.58
Molar Refractivity
45.79
Admin
Created at
-
Updated at
6th Jun 2022