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Molecule
Propyltriethoxysilane
CAS: 2550-02-9 · C9H22O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2550-02-9
- Molecular Formula
- C9H22O3Si
- Molecular Mass
- 206.36 g/mol
Identifiers
CAS Registry Number
2550-02-9
SMILES
CCC[Si](OCC)(OCC)OCC
InChI Key
NBXZNTLFQLUFES-UHFFFAOYSA-N
InChI
InChI=1S/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3
Names and Synonyms
- Propyltriethoxysilane Synonym
- Silane, triethoxypropyl- Synonym
- Triethoxypropylsilane Synonym
- n-Propyltriethoxysilane Synonym
- Silar 1249 Synonym
- Propyltriethoxysilane Synonym
- Si 203 Synonym
- Dynasylan PTEO Synonym
- VP-Si 203 Synonym
- KBE 3033 Synonym
- DB 8331 Synonym
- ZQ 701 Synonym
- PTS Synonym
- KH 303 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.36 g/mol | CAS Common Chemistry |
| 206.35799999999995 g/mol | RDKit | |
| 206.358 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.891 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 179-180 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NBXZNTLFQLUFES-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.4448000000000008 | RDKit |
| 2.4448 | RDKit | |
| Molar Refractivity | 55.73000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 206.133821094 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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.
External Resources
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Quick conversion
MW = 206.36 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H22O3Si.
