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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
Names and Synonyms:
Diphenylsilanediol
Silanediol, 1,1-diphenyl-
Silanediol, diphenyl-
1,1-Diphenylsilanediol
Diphenylsilanediol
Dihydroxydiphenylsilane
Diphenyldihydroxysilane
TSL 8162
SX 11
D 6150
SX 11 (diol)
NSC 12561
LS 4320
Diphenylsilandiol
SID 4560.0
SiSiB PC 8228
Identifiers:
SMILES:
O[Si](O)(c1ccccc1)c1ccccc1
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
Key Properties
Melting Point
138-142 °C (decomp)
CAS Common Chemistry
Density
1.16 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 | 216.31 g/mol | CAS Common Chemistry |
| 216.312 g/mol | RDKit | |
| 216.06065615400001 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 |
| Molar Refractivity | 62.343600000000045 | RDKit |
