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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
Names and Synonyms:
Propyltriethoxysilane
Silane, triethoxypropyl-
Triethoxypropylsilane
n-Propyltriethoxysilane
Silar 1249
Propyltriethoxysilane
Si 203
Dynasylan PTEO
VP-Si 203
KBE 3033
DB 8331
ZQ 701
PTS
KH 303
Identifiers:
SMILES:
CCC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C9H22O3Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-9H2,1-4H3
Key Properties
Boiling Point
179-180 °C
CAS Common Chemistry
Density
0.89 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.36 g/mol | CAS Common Chemistry |
| 206.35799999999995 g/mol | RDKit | |
| 206.133821094 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 |
| Molar Refractivity | 55.73000000000005 | RDKit |
