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
-2.3543 -0.8128 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1492 -0.8891 -0.6385 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0702 0.0125 0.1043 P 0 0 0 0 0 5 0 0 0 0 0 0
0.1509 -0.3958 1.5619 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2022 1.7679 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 2.5651 -0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 -0.3373 -0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8776 -1.6322 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2220 -1.1685 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 -1.5174 -0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6924 0.2434 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 2.1991 -0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7213 3.6422 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8294 2.1399 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5610 -1.7636 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3112 -2.3292 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9741 -1.7243 -0.4140 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