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Silanetriol, 1-Propyl-, 1,1,1-Triacetate
CAS: 17865-07-5 | C9H16O6Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17865-07-5
Molecular Formula:
C9H16O6Si
Molecular Mass:
248.31 g/mol
Names and Synonyms:
Silanetriol, 1-Propyl-, 1,1,1-Triacetate
Silanetriol, 1-propyl-, 1,1,1-triacetate
Silanetriol, propyl-, triacetate
Propyltriacetoxysilane
Identifiers:
SMILES:
CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChI:
InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3
Key Properties
Boiling Point
127-131 °C @ Press: 20 Torr
CAS Common Chemistry
Density
1.12 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 | 248.31 g/mol | CAS Common Chemistry |
| 248.30699999999993 g/mol | RDKit | |
| 248.071614762 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.119 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 127-131 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Si](OC(=O)C)(OC(=O)C)CCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DKGZKEKMWBGTIB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Silanetriol, 1-propyl-, 1,1,1-triacetate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.9 Ų | RDKit |
| LogP | 1.0246 | RDKit |
| Molar Refractivity | 56.150000000000034 | RDKit |
