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Molecule
Silanol, Trimethyl-, 1,1′-Sulfate
CAS: 18306-29-1 · C6H18O4SSi2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18306-29-1
- Molecular Formula
- C6H18O4SSi2
- Molecular Mass
- 242.45 g/mol
Identifiers
CAS Registry Number
18306-29-1
SMILES
C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C
InChI Key
KRUQDZRWZXUUAD-UHFFFAOYSA-N
InChI
InChI=1S/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3
Names and Synonyms
- Silanol, Trimethyl-, 1,1′-Sulfate Systematic Name
- Silanol, trimethyl-, 1,1′-sulfate Synonym
- Silanol, trimethyl-, sulfate (2:1) Synonym
- Bis(trimethylsilyl) sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 242.45 g/mol | CAS Common Chemistry |
| 242.44499999999996 g/mol | RDKit | |
| 242.445 g/mol | RDKit | |
| 242.438 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O[Si](C)(C)C)O[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H18O4SSi2/c1-12(2,3)9-11(7,8)10-13(4,5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KRUQDZRWZXUUAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56-58 °C | CAS Common Chemistry |
| Name | Silanol, trimethyl-, 1,1′-sulfate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 1.9342 | RDKit |
| Molar Refractivity | 57.78180000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 242.046433116 g/mol | RDKit |
| Boiling Point | 70 °C @ 0.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 242.45 g/mol. Edit any field — others recompute live.
