Monomers

Ethyl crotonate

Identifiers

IUPAC name
ethyl (E)-but-2-enoate
InchI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
InchI Key
ZFDIRQKJPRINOQ-HWKANZROSA-N
SMILES
CCOC(=O)/C=C/C
Canonical SMILES
CCOC(=O)C=CC
Isomeric SMILES
CCOC(=O)/C=C/C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.9598   -0.3316   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1707    0.8947   -0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7982    0.5920   -0.5329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    0.1695    0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9822    0.0782    1.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911   -0.1568    0.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0354   -0.0828   -0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511   -0.4361   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2574   -1.1196    0.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268   -0.6725   -1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800   -0.0827    0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801    1.2727   -1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3794    1.6847    0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -0.4766    1.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7173    0.2308   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0765   -0.1071   -0.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5906   -1.5341    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8434    0.0770    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers