Structure Database (LMSD)
Common Name
Ethyl 4-pentenoate
Systematic Name
ethyl pent-4-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ethyl 4-pentenoate
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)
PTVSRINJXWDIKP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3
SMILES (Click to copy)
C=CCCC(=O)OCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
141.96
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.80
Molar Refractivity
36.55
Admin
Created at
-
Updated at
6th Jun 2022