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
    3.0771   -0.2588   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.3966    0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0883    0.0441    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    0.3131    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4824    0.9060   -0.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2371   -0.1038    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933    0.1211   -0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5807   -0.3127   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260    0.5254   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703   -0.8370   -0.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626   -1.0100   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9578    0.0521    1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    1.5069    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4769   -0.6086    1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9533    0.6262   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1169   -0.5967   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1730    0.4863    0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5999   -1.2502    0.3465 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