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
   -2.5466   -0.1359    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3288   -0.5173    0.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1115    0.1660    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075    0.9640   -0.6568 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1063   -0.0726    0.9257 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    0.5628    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696   -0.0031   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4295   -0.5697    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5395   -0.5340   -0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355    0.9701    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -0.2447    1.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1868   -1.6359    0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956    1.5202    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7144   -0.9627   -0.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8656    0.4927   -0.8578 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