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

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
    3.4050   -0.1494    0.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0201   -0.4995    0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0570    0.4461    0.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2761    0.1834    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5111   -0.8586   -0.3917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439    1.0869    0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5811    0.8755    0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9577   -0.3229   -0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    0.9451    0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328   -0.6943    1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -0.5318   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9689   -0.6057   -0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7105   -1.4729    0.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1636    2.0089    1.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3728    1.5617    0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0699   -0.3577   -0.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484   -0.3957   -1.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195   -1.2190    0.0749 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