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Molecule
1,1′-(1,4-Phenylene)Bis[1,1-Dimethylsilanol]
CAS: 2754-32-7 · C10H18O2Si2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2754-32-7
- Molecular Formula
- C10H18O2Si2
- Molecular Mass
- 226.42 g/mol
Identifiers
CAS Registry Number
2754-32-7
SMILES
C[Si](C)(O)c1ccc([Si](C)(C)O)cc1
InChI Key
YBNBOGKRCOCJHH-UHFFFAOYSA-N
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
Names and Synonyms
- 1,1′-(1,4-Phenylene)Bis[1,1-Dimethylsilanol] Systematic Name
- Silanol, 1,1′-(1,4-phenylene)bis[1,1-dimethyl- Synonym
- Silanol, p-phenylenebis[dimethyl- Synonym
- Silanol, 1,4-phenylenebis[dimethyl- Synonym
- 1,1′-(1,4-Phenylene)bis[1,1-dimethylsilanol] Synonym
- p-Bis(dimethylhydroxysilyl)benzene Synonym
- 1,4-Bis(dimethylhydroxysilyl)benzene Synonym
- 1,4-Bis(hydroxydimethylsilyl)benzene Synonym
- p-Phenylenebis(dimethylsilanol) Synonym
- p-Bis(hydroxydimethylsilyl)benzene Synonym
- 1,4-Di(dimethylhydroxysilyl)benzene Synonym
- NSC 83943 Synonym
- 1,4-Phenylenebis(dimethylsilanol) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.42 g/mol | CAS Common Chemistry |
| 226.42399999999998 g/mol | RDKit | |
| 226.424 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 |
| 0.4954 | RDKit | |
| Molar Refractivity | 65.11160000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 226.084532876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 226.42 g/mol. Edit any field — others recompute live.
