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
   -3.3284    0.5499    0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727   -0.2512    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9869    0.6498    0.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819    0.1175   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648   -1.0824   -0.4060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    0.9353   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6413    0.4461   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452   -0.9679   -0.7046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2455    0.7535    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2551    1.5182   -0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2460   -0.0123    0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9609   -1.0836    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1690   -0.6214   -0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630    1.9764    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5580    1.0608   -0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9246   -1.1905   -0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919   -1.2074   -1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241   -1.5908    0.1709 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