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Silanol, 1,1,1-Trimethyl-, 1,1′,1′′-Phosphite
CAS: 1795-31-9 | C9H27O3PSi3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1795-31-9
Molecular Formula:
C9H27O3PSi3
Molecular Mass:
298.54 g/mol
Names and Synonyms:
Silanol, 1,1,1-Trimethyl-, 1,1′,1′′-Phosphite
Silanol, 1,1,1-trimethyl-, 1,1′,1′′-phosphite
Silanol, trimethyl-, phosphite (3:1)
Silanol, trimethyl-, phosphite
Trimethylsilanol phosphite
Tris(trimethylsilyl) phosphite
Tris(trimethylsilyloxy)phosphine
Identifiers:
SMILES:
C[Si](C)(C)OP(O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C9H27O3PSi3/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h1-9H3
Key Properties
Boiling Point
90-92 °C @ Press: 20 Torr
CAS Common Chemistry
Density
0.89 g/cm³
CAS Common Chemistry
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 | 298.54 g/mol | CAS Common Chemistry |
| 298.54400000000004 g/mol | RDKit | |
| 298.100560944 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.893 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 90-92 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O(P(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H27O3PSi3/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VMZOBROUFBEGAR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Silanol, 1,1,1-trimethyl-, 1,1′,1′′-phosphite | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.767800000000005 | RDKit |
| Molar Refractivity | 80.21300000000005 | RDKit |
