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
    2.5437   -0.5629   -0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672   -1.0588    0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2564   -0.3666    0.2752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968    0.9933    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163    1.6511    0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017    1.6680    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2928    1.0283   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062   -0.4338   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211   -0.9263   -1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -1.0799   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    0.5125   -0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8386   -1.0965    1.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2599   -2.1248    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601    2.7339    0.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2113    1.5745   -0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941   -0.6783   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2889   -0.8178   -0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9629   -1.0162    0.6047 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