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Molecule
Diphenyl[2-(Triethoxysilyl)Ethyl]Phosphine
CAS: 18586-39-5 · C20H29O3PSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18586-39-5
- Molecular Formula
- C20H29O3PSi
- Molecular Mass
- 376.51 g/mol
Identifiers
CAS Registry Number
18586-39-5
SMILES
CCO[Si](CCP(c1ccccc1)c1ccccc1)(OCC)OCC
InChI Key
HLXCYTXLQJWQFG-UHFFFAOYSA-N
InChI
InChI=1S/C20H29O3PSi/c1-4-21-25(22-5-2,23-6-3)18-17-24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3
Names and Synonyms
- Diphenyl[2-(Triethoxysilyl)Ethyl]Phosphine Common Name
- Phosphine, diphenyl[2-(triethoxysilyl)ethyl]- Synonym
- Diphenyl[2-(triethoxysilyl)ethyl]phosphine Synonym
- [2-(Triethoxysilyl)ethyl]diphenylphosphine Synonym
- β-Diphenylphosphinoethyltriethoxysilane Synonym
- [2-(Diphenylphosphino)ethyl]triethoxysilane Synonym
- MicroSi MS 805 Synonym
- SID 4558.0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 376.51 g/mol | CAS Common Chemistry |
| 376.5090000000002 g/mol | RDKit | |
| 376.509 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.050 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCP(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C20H29O3PSi/c1-4-21-25(22-5-2,23-6-3)18-17-24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HLXCYTXLQJWQFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diphenyl[2-(triethoxysilyl)ethyl]phosphine | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.1677000000000035 | RDKit |
| 4.1677 | RDKit | |
| Molar Refractivity | 109.37800000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 376.16235794799996 g/mol | RDKit |
| Boiling Point | 182 °C @ 1.3 Torr | CAS Common Chemistry |
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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100
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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.
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MW = 376.51 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
