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Molecule
Silanetriol, 1-Propyl-, 1,1,1-Triacetate
CAS: 17865-07-5 · C9H16O6Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17865-07-5
- Molecular Formula
- C9H16O6Si
- Molecular Mass
- 248.31 g/mol
Identifiers
CAS Registry Number
17865-07-5
SMILES
CCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
InChI Key
DKGZKEKMWBGTIB-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O6Si/c1-5-6-16(13-7(2)10,14-8(3)11)15-9(4)12/h5-6H2,1-4H3
Names and Synonyms
- Silanetriol, 1-Propyl-, 1,1,1-Triacetate Synonym
- Silanetriol, 1-propyl-, 1,1,1-triacetate Synonym
- Silanetriol, propyl-, triacetate Synonym
- Propyltriacetoxysilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.31 g/mol | CAS Common Chemistry |
| 248.30699999999993 g/mol | RDKit | |
| 248.307 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.119 g/cm3 @ 20 °C | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 248.071614762 g/mol | RDKit |
| Boiling Point | 127-131 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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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.
External Resources
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MW = 248.31 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
