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Molecule
Diphenylsilanediol
CAS: 947-42-2 · C12H12O2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 947-42-2
- Molecular Formula
- C12H12O2Si
- Molecular Mass
- 216.31 g/mol
Identifiers
CAS Registry Number
947-42-2
SMILES
O[Si](O)(c1ccccc1)c1ccccc1
InChI Key
OLLFKUHHDPMQFR-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
Names and Synonyms
- Diphenylsilanediol Synonym
- Silanediol, 1,1-diphenyl- Synonym
- Silanediol, diphenyl- Synonym
- 1,1-Diphenylsilanediol Synonym
- Diphenylsilanediol Synonym
- Dihydroxydiphenylsilane Synonym
- Diphenyldihydroxysilane Synonym
- TSL 8162 Synonym
- SX 11 Synonym
- D 6150 Synonym
- SX 11 (diol) Synonym
- NSC 12561 Synonym
- LS 4320 Synonym
- Diphenylsilandiol Synonym
- SID 4560.0 Synonym
- SiSiB PC 8228 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 216.31 g/mol | CAS Common Chemistry |
| 216.312 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.16 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylsilanediol | CAS Common Chemistry |
| Canonical SMILES | O[Si](O)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12O2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=OLLFKUHHDPMQFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138-142 °C (decomp) | CAS Common Chemistry |
| Name | Diphenylsilanediol | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.22759999999999958 | RDKit |
| 0.2276 | RDKit | |
| Molar Refractivity | 62.343600000000045 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 216.06065615400001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 216.31 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
