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Molecule
1,4-Bis(Trimethylsilyl)Benzene
CAS: 13183-70-5 · C12H22Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13183-70-5
- Molecular Formula
- C12H22Si2
- Molecular Mass
- 222.48 g/mol
Identifiers
CAS Registry Number
13183-70-5
SMILES
C[Si](C)(C)c1ccc([Si](C)(C)C)cc1
InChI Key
NVRBTKMAZQNKPX-UHFFFAOYSA-N
InChI
InChI=1S/C12H22Si2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
Names and Synonyms
- 1,4-Bis(Trimethylsilyl)Benzene Systematic Name
- Benzene, 1,4-bis(trimethylsilyl)- Synonym
- Silane, p-phenylenebis[trimethyl- Synonym
- Silane, 1,4-phenylenebis[trimethyl- Synonym
- 1,4-Bis(trimethylsilyl)benzene Synonym
- p-Bis(trimethylsilyl)benzene Synonym
- 1,4-Phenylenebis(trimethylsilane) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.48 g/mol | CAS Common Chemistry |
| 222.47999999999996 g/mol | RDKit | |
| Boiling Point | 194-195 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1[Si](C)(C)C)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H22Si2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NVRBTKMAZQNKPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92-94 °C | CAS Common Chemistry |
| Name | 1,4-Bis(trimethylsilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.777000000000001 | RDKit |
| 2.777 | RDKit | |
| Molar Refractivity | 72.40200000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 222.126003764 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.
External Resources
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MW = 222.48 g/mol. Edit any field — others recompute live.
