Back to Search
Molecule
Triphenylsilanol
CAS: 791-31-1 · C18H16OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 791-31-1
- Molecular Formula
- C18H16OSi
- Molecular Mass
- 276.41 g/mol
Identifiers
CAS Registry Number
791-31-1
SMILES
O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
NLSXASIDNWDYMI-UHFFFAOYSA-N
InChI
InChI=1S/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
Names and Synonyms
- Triphenylsilanol Common Name
- Silanol, 1,1,1-triphenyl- Synonym
- Silanol, triphenyl- Synonym
- 1,1,1-Triphenylsilanol Synonym
- Triphenylhydroxysilane Synonym
- Triphenylsilanol Synonym
- Hydroxytriphenylsilane Synonym
- Triphenylsilyl hydroxide Synonym
- NSC 12564 Synonym
- Z 6800 Synonym
- LS 6400 Synonym
- TSL 8161D Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.41 g/mol | CAS Common Chemistry |
| 276.411 g/mol | RDKit | |
| Canonical SMILES | O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H16OSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H | CAS Common Chemistry |
| InChI Key | InChIKey=NLSXASIDNWDYMI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154.8 °C | CAS Common Chemistry |
| Name | Triphenylsilanol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.6458000000000002 | RDKit |
| 1.6458 | RDKit | |
| Molar Refractivity | 86.20080000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 276.097041662 g/mol | RDKit |
| Boiling Point | 156-158 °C @ 760 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
Convert
Quick conversion
MW = 276.41 g/mol. Edit any field — others recompute live.
