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Molecule
Acetic Acid, 1,1′-Dianhydride With Silicic Acid (H4Sio4) Bis(1,1-Dimethylethyl) Ester
CAS: 13170-23-5 · C12H24O6Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13170-23-5
- Molecular Formula
- C12H24O6Si
- Molecular Mass
- 292.40 g/mol
Identifiers
CAS Registry Number
13170-23-5
SMILES
CC(=O)O[Si](OC(C)=O)(OC(C)(C)C)OC(C)(C)C
InChI Key
OPARTXXEFXPWJL-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O6Si/c1-9(13)15-19(16-10(2)14,17-11(3,4)5)18-12(6,7)8/h1-8H3
Names and Synonyms
- Acetic Acid, 1,1′-Dianhydride With Silicic Acid (H4Sio4) Bis(1,1-Dimethylethyl) Ester Systematic Name
- Acetic acid, 1,1′-dianhydride with silicic acid (H4SiO4) bis(1,1-dimethylethyl) ester Synonym
- Acetic acid, dianhydride with silicic acid (H4SiO4) di-tert-butyl ester Synonym
- Acetic acid, dianhydride with silicic acid (H4SiO4) bis(1,1-dimethylethyl) ester Synonym
- Acetic acid, dianhydride with (tert-BuO)2(HO)2Si Synonym
- Silicic acid (H4SiO4), dianhydride with acetic acid di-tert-butyl ester Synonym
- Di-tert-butoxydiacetoxysilane Synonym
- Diacetoxydi-tert-butoxysilane Synonym
- Diacetoxydi-t-butoxysilane Synonym
- Haftvermittler DBS Synonym
- [Acetyloxy-bis[(2-methylpropan-2-yl)oxy]silyl] acetate Synonym
- Dynasylan BDAC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 292.40 g/mol | CAS Common Chemistry |
| 292.404 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.019 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O[Si](OC(=O)C)(OC(C)(C)C)OC(C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O6Si/c1-9(13)15-19(16-10(2)14,17-11(3,4)5)18-12(6,7)8/h1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OPARTXXEFXPWJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4 °C | CAS Common Chemistry |
| Name | Acetic acid, 1,1′-dianhydride with silicic acid (H4SiO4) bis(1,1-dimethylethyl) ester | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 71.06 Ų | RDKit |
| LogP | 2.1784 | RDKit |
| Molar Refractivity | 70.96200000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 292.13421501799996 g/mol | RDKit |
| Boiling Point | 102 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 292.40 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
