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Triethoxysilane
CAS: 998-30-1 | C6H16O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
998-30-1
Molecular Formula:
C6H16O3Si
Molecular Mass:
164.28 g/mol
Names and Synonyms:
Triethoxysilane
Silane, triethoxy-
Triethoxysilane
TRIES
NSC 124134
SIT 8185
KBE 03
SIT 8185.0
T 1040
Identifiers:
SMILES:
CCO[SiH](OCC)OCC
InChI:
InChI=1S/C6H16O3Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-6H2,1-3H3
Key Properties
Boiling Point
132.5 °C
CAS Common Chemistry
Melting Point
-170 °C
CAS Common Chemistry
Density
0.87 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 | 164.28 g/mol | CAS Common Chemistry |
| 164.27699999999996 g/mol | RDKit | |
| 164.086870902 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8745 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethoxysilane | CAS Common Chemistry |
| Boiling Point | 132.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[SiH](OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H16O3Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQQSFSZALRVCSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -170 °C | CAS Common Chemistry |
| Name | Triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.8130999999999999 | RDKit |
| Molar Refractivity | 42.027000000000015 | RDKit |
