Monomers

Vinyl propionate

Identifiers

IUPAC name
ethenyl propanoate
InchI
InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3
InchI Key
UIWXSTHGICQLQT-UHFFFAOYSA-N
SMILES
CCC(=O)OC=C
Canonical SMILES
CCC(=O)OC=C
Isomeric SMILES
CCC(=O)OC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
26.3
MolLogP
1.0831
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

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.2091    0.2105    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5145   -0.5271   -0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0466   -0.4734   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040   -1.0765   -1.6005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6690    0.1894    0.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0519    0.1968    0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7841   -0.7098    0.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859    0.9263   -0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651    0.7577    0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7987   -0.5412    0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936   -1.6192   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825   -0.1251   -1.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463    0.9912   -0.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8463   -0.7086    0.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2945   -1.5249    1.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers