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
    2.2610    0.8844    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503    1.2031   -0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1804    0.2166   -0.0701 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2146   -0.2331    1.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405    1.2099   -0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6750    1.2127    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989   -1.0544   -1.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2814   -2.2373   -0.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518   -0.1811    0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    1.4409    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1570    1.1431   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6567    1.8340   -1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5478    1.8068    0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6635    0.5887    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070   -2.1773   -0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630   -2.6883    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199   -2.9687   -1.4829 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