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
   -3.6087    0.3416   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -0.2354    0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1923    0.2992   -0.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497   -0.2019    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820   -1.0882    1.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974    0.2457   -0.4566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208   -0.2453   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7593    0.1471   -0.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4763    0.9327   -1.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1206    0.9386    0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3100   -0.4874   -0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2045   -0.0221    1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2764   -1.3456    0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3094    0.9844   -1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059   -0.9963    0.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4525   -0.7057   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    0.4213   -1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091    1.0174    0.0297 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