Structure Database (LMSD)
Common Name
Methyl 4-pentenoate
Systematic Name
methyl pent-4-enoate
Synonyms
3D model of Methyl 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)
SHCSFZHSNSGTOP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3
SMILES (Click to copy)
COC(CCC=C)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
124.66
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.13
Molar Refractivity
31.45
Admin
Created at
-
Updated at
6th Jun 2022