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
-1.8147 -1.7555 -0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9077 -0.8151 -1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0374 -0.2965 0.2345 P 0 0 0 0 0 5 0 0 0 0 0 0
-0.0113 -1.3971 1.2923 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7315 -0.0342 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7196 -0.0661 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6389 1.0774 0.9434 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 2.1360 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2396 -2.6358 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4125 -1.3775 0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4940 -2.1087 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9581 0.1554 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7590 0.0889 0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5251 -0.2561 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4478 1.8516 -0.7737 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2355 2.9657 0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2173 2.4676 -0.3405 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