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1,1′-(1,4-Phenylene)Bis[1,1-Dimethylsilanol]
CAS: 2754-32-7 | C10H18O2Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2754-32-7
Molecular Formula:
C10H18O2Si2
Molecular Mass:
226.42 g/mol
Names and Synonyms:
1,1′-(1,4-Phenylene)Bis[1,1-Dimethylsilanol]
Silanol, 1,1′-(1,4-phenylene)bis[1,1-dimethyl-
Silanol, p-phenylenebis[dimethyl-
Silanol, 1,4-phenylenebis[dimethyl-
1,1′-(1,4-Phenylene)bis[1,1-dimethylsilanol]
p-Bis(dimethylhydroxysilyl)benzene
1,4-Bis(dimethylhydroxysilyl)benzene
1,4-Bis(hydroxydimethylsilyl)benzene
p-Phenylenebis(dimethylsilanol)
p-Bis(hydroxydimethylsilyl)benzene
1,4-Di(dimethylhydroxysilyl)benzene
NSC 83943
1,4-Phenylenebis(dimethylsilanol)
Identifiers:
SMILES:
C[Si](C)(O)c1ccc([Si](C)(C)O)cc1
InChI:
InChI=1S/C10H18O2Si2/c1-13(2,11)9-5-7-10(8-6-9)14(3,4)12/h5-8,11-12H,1-4H3
Key Properties
Melting Point
135 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 226.42 g/mol | CAS Common Chemistry |
| 226.42399999999998 g/mol | RDKit | |
| 226.084532876 g/mol | RDKit | |
| Canonical SMILES | O[Si](C1=CC=C(C=C1)[Si](O)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O2Si2/c1-13(2,11)9-5-7-10(8-6-9)14(3,4)12/h5-8,11-12H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YBNBOGKRCOCJHH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135 °C | CAS Common Chemistry |
| Name | 1,1′-(1,4-Phenylene)bis[1,1-dimethylsilanol] | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.4953999999999999 | RDKit |
| Molar Refractivity | 65.11160000000004 | RDKit |
