Monomers

Dimethyl vinylphosphonate

Identifiers

IUPAC name
1-dimethoxyphosphorylethene
InchI
InChI=1S/C4H9O3P/c1-4-8(5,6-2)7-3/h4H,1H2,2-3H3
InchI Key
CQCXMYUCNSJSKG-UHFFFAOYSA-N
SMILES
COP(=O)(C=C)OC
Canonical SMILES
COP(=O)(C=C)OC
Isomeric SMILES
COP(=O)(C=C)OC
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H9O3P
Heavy Atom Count
8
Molecular Weight
136.087
Exact Molecular Weight
136.0289
Valence Electrons
48
Radical Electrons
0
tPSA
35.53
MolLogP
1.6158
H Bond Acceptors
3
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

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4203    0.0278    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303    0.5737    0.6113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1380   -0.2711   -0.4580 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.0029   -0.8245   -1.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366   -1.6705    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8765   -1.5512    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0398    0.6831   -1.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0863    1.9697   -0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0460    0.2342    1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161   -1.0882    0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8531    0.4073   -0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0867   -2.5824    0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4391   -0.6501    0.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -2.4006    1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3880    2.6223   -1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779    2.1432    0.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267    2.3773   -0.3408 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  2  3
  3  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
  8 15  1  0
  8 16  1  0
  8 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers