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Molecule
Diphenyldiethoxysilane
CAS: 2553-19-7 · C16H20O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2553-19-7
- Molecular Formula
- C16H20O2Si
- Molecular Mass
- 272.42 g/mol
Identifiers
CAS Registry Number
2553-19-7
SMILES
CCO[Si](OCC)(c1ccccc1)c1ccccc1
InChI Key
ZZNQQQWFKKTOSD-UHFFFAOYSA-N
InChI
InChI=1S/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
Names and Synonyms
- Diphenyldiethoxysilane Synonym
- Benzene, 1,1′-(diethoxysilylene)bis- Synonym
- Silane, diethoxydiphenyl- Synonym
- 1,1′-(Diethoxysilylene)bis[benzene] Synonym
- Diphenyldiethoxysilane Synonym
- Diethoxydiphenylsilane Synonym
- KBM 202LS5990 Synonym
- TSL 8177 Synonym
- NSC 77127 Synonym
- KEB 202 Synonym
- LS 5990 Synonym
- KBE 202 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.42 g/mol | CAS Common Chemistry |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.032 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 167 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZZNQQQWFKKTOSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenyldiethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.3160000000000007 | RDKit |
| 2.316 | RDKit | |
| Molar Refractivity | 81.15800000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 272.12325641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 272.42 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
