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
-0.8798 -2.2711 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2642 -1.3322 0.5744 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 0.0122 -0.3948 P 0 0 0 0 0 5 0 0 0 0 0 0
0.6614 -0.4666 -1.7017 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 0.8666 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5827 2.1515 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1619 1.0475 0.3875 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4540 0.5541 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4315 -3.0237 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0708 -2.6989 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5373 -1.6897 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2883 0.2801 -1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7340 2.6885 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5575 2.6238 -0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6449 -0.0501 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -0.0728 1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1676 1.3809 0.3568 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