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
-1.7513 -1.8928 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.8049 0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 0.0147 0.0779 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1008 0.0050 -1.4379 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3399 -0.8428 0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5693 -0.3611 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 1.5897 0.6803 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5358 2.5155 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1213 -2.7622 0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 -2.2164 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6177 -1.6456 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2445 -1.8076 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4466 -0.8455 1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7036 0.5847 0.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3042 3.5254 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6209 2.4519 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0040 2.4922 -1.2050 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