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Molecule
Silanol, 1,1,1-Trimethyl-, 1,1′,1′′-Phosphite
CAS: 1795-31-9 · C9H27O3PSi3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1795-31-9
- Molecular Formula
- C9H27O3PSi3
- Molecular Mass
- 298.54 g/mol
Identifiers
CAS Registry Number
1795-31-9
SMILES
C[Si](C)(C)OP(O[Si](C)(C)C)O[Si](C)(C)C
InChI Key
VMZOBROUFBEGAR-UHFFFAOYSA-N
InChI
InChI=1S/C9H27O3PSi3/c1-14(2,3)10-13(11-15(4,5)6)12-16(7,8)9/h1-9H3
Names and Synonyms
- Silanol, 1,1,1-Trimethyl-, 1,1′,1′′-Phosphite Synonym
- Silanol, 1,1,1-trimethyl-, 1,1′,1′′-phosphite Synonym
- Silanol, trimethyl-, phosphite (3:1) Synonym
- Silanol, trimethyl-, phosphite Synonym
- Trimethylsilanol phosphite Synonym
- Tris(trimethylsilyl) phosphite Synonym
- Tris(trimethylsilyloxy)phosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.54 g/mol | CAS Common Chemistry |
| 298.54400000000004 g/mol | RDKit | |
| 298.544 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.893 g/cm3 | 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 |
| 4.7678 | RDKit | |
| Molar Refractivity | 80.21300000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 298.100560944 g/mol | RDKit |
| Boiling Point | 90-92 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 298.54 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
