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
2.8426 -0.3981 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7975 0.4617 0.6874 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3566 0.0307 -0.0439 P 0 0 0 0 0 5 0 0 0 0 0 0
0.4986 -0.2213 -1.5244 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8016 1.3766 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5149 1.8581 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -1.3300 0.7237 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6675 -1.4375 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4265 -0.5574 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 -1.3893 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5593 0.0367 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9360 1.8216 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3884 1.4240 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 2.6731 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -2.3245 -0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9682 -0.5080 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2970 -1.5164 1.1837 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