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
2.1781 -0.6212 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3727 0.5220 0.0825 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2539 0.1392 -0.1006 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.4451 -0.4299 -1.4760 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7840 -1.0734 1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3541 -2.2034 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1631 1.5423 0.1398 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7805 2.5655 -0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2344 -0.2919 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9163 -1.2808 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0212 -1.2215 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6457 -0.9001 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6669 -2.9218 1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4984 -2.3893 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3252 2.6536 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2448 3.5003 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2114 2.4105 -1.7315 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