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Molecule
Phenyltriethoxysilane
CAS: 780-69-8 · C12H20O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 780-69-8
- Molecular Formula
- C12H20O3Si
- Molecular Mass
- 240.38 g/mol
Identifiers
CAS Registry Number
780-69-8
SMILES
CCO[Si](OCC)(OCC)c1ccccc1
InChI Key
JCVQKRGIASEUKR-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
Names and Synonyms
- Phenyltriethoxysilane Common Name
- Benzene, (triethoxysilyl)- Synonym
- Silane, triethoxyphenyl- Synonym
- (Triethoxysilyl)benzene Synonym
- Benzeneorthosiliconic acid, triethyl ester Synonym
- Triethoxyphenylsilane Synonym
- TSL 8178 Synonym
- Phenyltriethoxysilane Synonym
- P 0320 Synonym
- KBM 202LS4480 Synonym
- PTS 32 Synonym
- Tri(ethoxo)(phenyl)silane Synonym
- KBE 103 Synonym
- LS 4480 Synonym
- NSC 77115 Synonym
- Dynasil 9265 Synonym
- LS 4800 Synonym
- Dynasylan 9265 Synonym
- KH 162 Synonym
- KH 651 Synonym
- SIP 6821.0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.38 g/mol | CAS Common Chemistry |
| 240.375 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.996 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 112-113 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JCVQKRGIASEUKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.942 | RDKit |
| Molar Refractivity | 66.70800000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 240.11817102999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 240.38 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
