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
-0.9489 2.0860 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7423 1.2175 0.6722 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1434 -0.1046 0.0850 P 0 0 0 0 0 5 0 0 0 0 0 0
0.5811 0.1203 -1.3518 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8966 -1.5533 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 -1.4806 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -0.2718 1.0792 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6284 -0.3229 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9015 1.7577 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0355 3.1101 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1380 1.9684 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4898 -2.5114 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8101 -2.3662 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5890 -0.5116 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9300 -1.4072 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4932 0.0485 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4404 0.2212 0.8433 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