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
    3.0517    0.1684   -0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218   -0.4660    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666   -0.8622    0.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1389    0.0179    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4374    1.2232    0.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676   -0.3515    0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137    0.5056   -0.1497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6164    0.0639   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7891    1.2232   -0.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1652    0.0095   -0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6694   -0.4068   -1.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6218    0.2195    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335   -1.3656    0.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458   -1.4046    0.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0298    1.5795   -0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172    0.1611    0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1818    0.6929   -0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232   -1.0081   -0.5196 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