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Silanediol, 1,1-Dimethyl-, 1,1-Diacetate
CAS: 2182-66-3 | C6H12O4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2182-66-3
Molecular Formula:
C6H12O4Si
Molecular Mass:
176.24 g/mol
Names and Synonyms:
Silanediol, 1,1-Dimethyl-, 1,1-Diacetate
Silanediol, 1,1-dimethyl-, 1,1-diacetate
Silanediol, dimethyl-, diacetate
Dimethyldiacetoxysilane
Diacetoxydimethylsilane
Bis(acetyloxy)dimethylsilane
[Acetyloxy(dimethyl)silyl] acetate
(Acetyloxy)dimethylsilyl acetate
Identifiers:
SMILES:
CC(=O)O[Si](C)(C)OC(C)=O
InChI:
InChI=1S/C6H12O4Si/c1-5(7)9-11(3,4)10-6(2)8/h1-4H3
Key Properties
Boiling Point
165 °C
CAS Common Chemistry
Melting Point
-12.5 °C
CAS Common Chemistry
Density
1.05 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 | 176.24 g/mol | CAS Common Chemistry |
| 176.24399999999997 g/mol | RDKit | |
| 176.050485394 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 165 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O[Si](OC(=O)C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O4Si/c1-5(7)9-11(3,4)10-6(2)8/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RQVFGTYFBUVGOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -12.5 °C | CAS Common Chemistry |
| Name | Silanediol, 1,1-dimethyl-, 1,1-diacetate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 0.8144 | RDKit |
| Molar Refractivity | 41.01400000000001 | RDKit |
