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
-0.4554 2.2547 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 1.0607 0.3783 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2197 -0.1551 -0.1405 P 0 0 0 0 0 5 0 0 0 0 0 0
1.0794 0.3383 -1.2899 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2464 -0.6086 1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5053 -0.9367 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5907 -1.5208 -0.6772 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9646 -1.3493 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5248 2.0603 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6194 2.5100 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1171 3.0863 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8524 -0.6176 2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8812 -0.9235 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1616 -1.2173 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4753 -1.6020 0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2617 -0.3216 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3489 -2.0580 -1.5121 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