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
   -2.6326   -0.4727   -0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4975    0.4950   -0.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758   -0.1958   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0614   -1.4418   -0.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928    0.5441   -0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037   -0.1228   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3072    0.5812   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8181   -0.9318    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552    0.0233   -0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4430   -1.3093   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5449    1.1356   -1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783    1.1247    0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743   -1.2037   -0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2794    0.1268   -0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    1.6472   -0.2031 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