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
   -2.6648   -0.2316   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3289   -0.9052   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2451    0.1227   -0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5075    1.3293   -0.5846 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -0.2274   -0.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0541    0.7480   -0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099    0.3388   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416    0.7230   -0.8041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643   -0.9103   -0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164   -0.0808    0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646   -1.3885    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502   -1.6684   -0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8654    1.7954   -0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    1.0407   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6160   -0.6856   -0.3812 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