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
2.4363 -0.0556 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 0.6400 0.7572 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0859 0.1886 0.7754 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.4593 0.6137 2.1236 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7807 1.0513 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3857 2.2032 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0508 -1.4864 0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1149 -1.9650 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2407 -1.1637 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1305 0.3218 -1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5169 0.1298 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 0.6463 -1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3511 2.6409 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9166 2.7272 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9267 -2.4445 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4918 -2.7993 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9310 -1.2484 -0.0249 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