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
    2.5057    0.3016   -0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2537   -0.4514   -0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495   -0.1553    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3491    0.6544    0.9570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0873   -0.7445   -0.0917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463   -0.4919    0.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014    0.4846    0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871   -0.3850   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3288    1.2267    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    0.6031   -1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9772   -0.2261   -1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4557   -1.5578   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3033   -1.0771    1.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946    1.1132   -0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8328    0.7053    1.1560 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