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
cid=

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
    2.3522    0.5722   -1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132   -0.1333    0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238    0.2250    1.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0384   -0.0190    0.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1315   -0.5627   -0.5026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    0.3172    1.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3615    0.0874    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6295   -0.5498   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490    1.3351   -1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3478   -0.1269   -2.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892    1.1267   -1.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545   -1.2283   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803   -0.0550    0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9716    0.7894    2.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693    0.3640    1.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.0857   -1.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2297   -1.5682   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7407   -0.6596   -0.4430 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