Monomers

Dimethyl 1-methylvinylphosphonate

Identifiers

IUPAC name
2-dimethoxyphosphorylprop-1-ene
InchI
InChI=1S/C5H11O3P/c1-5(2)9(6,7-3)8-4/h1H2,2-4H3
InchI Key
IGUSXLGNCKJGFD-UHFFFAOYSA-N
SMILES
COP(=O)(C(=C)C)OC
Canonical SMILES
CC(=C)P(=O)(OC)OC
Isomeric SMILES
CC(=C)P(=O)(OC)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H11O3P
Heavy Atom Count
9
Molecular Weight
150.114
Exact Molecular Weight
150.0446
Valence Electrons
54
Radical Electrons
0
tPSA
35.53
MolLogP
2.0059
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

 20 19  0  0  0  0  0  0  0  0999 V2000
    1.2832    2.2939   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    1.1848    0.5504 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4066   -0.1138   -0.1411 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.4463   -0.0898   -1.6510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3384   -0.0090    0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6852    0.5404    1.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3996   -0.5489   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9646   -1.5695    0.4936 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746   -2.1331   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9012    2.1449   -1.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277    3.1789    0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3654    2.5968   -0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9268    0.9348    2.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    0.5961    1.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9288   -1.4111   -0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1055    0.3144   -0.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9801   -0.8951   -1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925   -2.9789    0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8033   -1.4554   -0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6319   -2.5805   -1.2103 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
  5  7  1  0
  3  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
  9 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers