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
-1.0852 2.0170 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1028 1.3428 0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0318 -0.1765 -0.4955 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.5299 -0.1194 -1.9115 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9265 -1.3345 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5517 -2.3586 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5955 -0.7853 -0.6211 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5681 0.1546 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9517 3.0604 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3842 2.1550 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8950 1.5593 -0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9880 -1.1793 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 -2.4850 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1187 -3.0335 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3492 1.1640 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5138 -0.1966 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 0.2156 0.7714 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