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Methyldiphenylsilanol
CAS: 778-25-6 | C13H14OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
778-25-6
Molecular Formula:
C13H14OSi
Molecular Mass:
214.34 g/mol
Names and Synonyms:
Methyldiphenylsilanol
Silanol, 1-methyl-1,1-diphenyl-
Silanol, methyldiphenyl-
1-Methyl-1,1-diphenylsilanol
Diphenyl(hydroxy)methylsilane
Diphenylmethylsilanol
Methyldiphenylsilanol
Methyldiphenylhydroxysilane
Diphenylmethylhydroxysilane
Identifiers:
SMILES:
C[Si](O)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H14OSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
Key Properties
Boiling Point
184-187 °C @ Press: 24 Torr
CAS Common Chemistry
Melting Point
167 °C
CAS Common Chemistry
Density
1.08 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 | 214.34 g/mol | CAS Common Chemistry |
| 214.08139159799998 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.084 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 184-187 °C @ Press: 24 Torr | CAS Common Chemistry |
| Canonical SMILES | O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H14OSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MLPRTGXXQKWLDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | Methyldiphenylsilanol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.3684 | RDKit |
| Molar Refractivity | 65.98880000000004 | RDKit |
