Structure Database (LMSD)
Common Name
Ethyl crotonate
Systematic Name
ethyl (2Z)-but-2-enoate
Synonyms
3D model of Ethyl crotonate
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)
ZFDIRQKJPRINOQ-HYXAFXHYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-
SMILES (Click to copy)
O(C(=O)/C=C\C)CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
124.66
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.41
Molar Refractivity
31.94
Admin
Created at
-
Updated at
6th Jun 2022