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
2.5447 0.4003 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 -0.1013 1.0192 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0922 -0.0827 0.5677 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.7150 -0.0637 1.8654 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 1.4304 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5355 1.7512 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2511 -1.4507 -0.3476 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3842 -2.1215 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8928 1.4384 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1086 0.2901 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4768 -0.2232 0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5192 2.1010 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3324 1.0822 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7935 2.6580 -1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1588 -3.2169 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6538 -1.9549 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2427 -1.9366 -0.6290 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