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Trimethylsilyl 2-(Diethoxyphosphinyl)Acetate
CAS: 66130-90-3 | C9H21O5PSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
66130-90-3
Molecular Formula:
C9H21O5PSi
Molecular Mass:
268.32 g/mol
Names and Synonyms:
Trimethylsilyl 2-(Diethoxyphosphinyl)Acetate
Acetic acid, 2-(diethoxyphosphinyl)-, trimethylsilyl ester
Acetic acid, (diethoxyphosphinyl)-, trimethylsilyl ester
Trimethylsilyl 2-(diethoxyphosphinyl)acetate
Diethyl [(trimethylsilyloxycarbonyl)methyl]phosphonate
Trimethylsilyl diethylphosphonoacetate
Identifiers:
SMILES:
CCOP(=O)(CC(=O)O[Si](C)(C)C)OCC
InChI:
InChI=1S/C9H21O5PSi/c1-6-12-15(11,13-7-2)8-9(10)14-16(3,4)5/h6-8H2,1-5H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.32 g/mol | CAS Common Chemistry |
| 268.322 g/mol | RDKit | |
| 268.089586932 g/mol | RDKit | |
| Canonical SMILES | O=C(O[Si](C)(C)C)CP(=O)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H21O5PSi/c1-6-12-15(11,13-7-2)8-9(10)14-16(3,4)5/h6-8H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VHIDZGBMGSRVHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethylsilyl 2-(diethoxyphosphinyl)acetate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.83000000000001 Ų | RDKit |
| LogP | 2.630600000000001 | RDKit |
| Molar Refractivity | 65.16350000000004 | RDKit |
