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Molecule
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
Identifiers
CAS Registry Number
778-25-6
SMILES
C[Si](O)(c1ccccc1)c1ccccc1
InChI Key
MLPRTGXXQKWLDM-UHFFFAOYSA-N
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
Names and Synonyms
- Methyldiphenylsilanol Common Name
- Silanol, 1-methyl-1,1-diphenyl- Synonym
- Silanol, methyldiphenyl- Synonym
- 1-Methyl-1,1-diphenylsilanol Synonym
- Diphenyl(hydroxy)methylsilane Synonym
- Diphenylmethylsilanol Synonym
- Methyldiphenylsilanol Synonym
- Methyldiphenylhydroxysilane Synonym
- Diphenylmethylhydroxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.34 g/mol | CAS Common Chemistry |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.084 g/cm3 @ 25 °C | 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 214.08139159799998 g/mol | RDKit |
| Boiling Point | 184-187 °C @ 24 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| 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 = 214.34 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
