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
-2.1465 0.9405 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9909 1.4838 0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1978 0.2665 -0.0089 P 0 0 0 0 0 5 0 0 0 0 0 0
0.3947 -0.0180 -1.4762 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4731 -1.1991 0.7594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5438 -2.3540 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6219 0.6881 0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6112 1.0472 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2232 -0.1420 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1100 1.1230 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0077 1.4710 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8242 -1.1029 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9613 -3.1933 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1828 -2.4087 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6659 0.3314 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5912 0.9926 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3808 2.0738 -0.4921 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