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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
Names and Synonyms:
Triphenylsilanol
Silanol, 1,1,1-triphenyl-
Silanol, triphenyl-
1,1,1-Triphenylsilanol
Triphenylhydroxysilane
Triphenylsilanol
Hydroxytriphenylsilane
Triphenylsilyl hydroxide
NSC 12564
Z 6800
LS 6400
TSL 8161D
Identifiers:
SMILES:
O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
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
Key Properties
Boiling Point
156-158 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
154.8 °C
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 | 276.41 g/mol | CAS Common Chemistry |
| 276.411 g/mol | RDKit | |
| 276.097041662 g/mol | RDKit | |
| Boiling Point | 156-158 °C @ Press: 760 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 86.20080000000004 | RDKit |
