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
-0.1013 2.4608 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9923 1.4188 -0.6395 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3994 -0.0539 -0.0602 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.4772 -0.0725 1.4544 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2391 -0.3903 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2642 -0.2267 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4168 -1.2801 -0.6299 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7756 -2.1374 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8101 2.3856 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6207 3.3967 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1720 2.5796 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3971 -0.7250 -1.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 0.1120 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3017 -0.4224 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1096 -1.5076 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5901 -2.8040 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8722 -2.7336 0.7051 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