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Molecule
1,1′,1′′-(Ethoxysilylidyne)Tris[Benzene]
CAS: 1516-80-9 · C20H20OSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1516-80-9
- Molecular Formula
- C20H20OSi
- Molecular Mass
- 304.47 g/mol
Identifiers
CAS Registry Number
1516-80-9
SMILES
CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
ZVJXKUWNRVOUTI-UHFFFAOYSA-N
InChI
InChI=1S/C20H20OSi/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
Names and Synonyms
- 1,1′,1′′-(Ethoxysilylidyne)Tris[Benzene] Synonym
- Benzene, 1,1′,1′′-(ethoxysilylidyne)tris- Synonym
- Silane, ethoxytriphenyl- Synonym
- 1,1′,1′′-(Ethoxysilylidyne)tris[benzene] Synonym
- Triphenylethoxysilane Synonym
- Ethoxytriphenylsilane Synonym
- Ethyl triphenylsilyl ether Synonym
- Triphenylsiliconethoxide Synonym
- NSC 93020 Synonym
- LS 6690 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.47 g/mol | CAS Common Chemistry |
| 304.46500000000003 g/mol | RDKit | |
| 304.465 g/mol | RDKit | |
| Boiling Point | 344 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H20OSi/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZVJXKUWNRVOUTI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65 °C | CAS Common Chemistry |
| Name | 1,1′,1′′-(Ethoxysilylidyne)tris[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.6900000000000013 | RDKit |
| 2.69 | RDKit | |
| Molar Refractivity | 95.60800000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 304.12834179 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 304.47 g/mol. Edit any field — others recompute live.
