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1,1,1,3,5,7,7,7-Octamethyltetrasiloxane
CAS: 16066-09-4 | C8H26O3Si4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16066-09-4
Molecular Formula:
C8H26O3Si4
Molecular Mass:
282.64 g/mol
Names and Synonyms:
1,1,1,3,5,7,7,7-Octamethyltetrasiloxane
Tetrasiloxane, 1,1,1,3,5,7,7,7-octamethyl-
1,1,1,3,5,7,7,7-Octamethyltetrasiloxane
H Oil
LS 8630
1,3-Bis(trimethylsiloxy)-1,3-dimethyldisiloxane
SIB 1838.0
Identifiers:
SMILES:
C[SiH](O[SiH](C)O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C8H26O3Si4/c1-12(10-14(3,4)5)9-13(2)11-15(6,7)8/h12-13H,1-8H3
Key Properties
Boiling Point
170 °C
CAS Common Chemistry
Density
0.86 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 | 282.64 g/mol | CAS Common Chemistry |
| 282.637 g/mol | RDKit | |
| 282.09590081199997 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.858 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 170 °C | CAS Common Chemistry |
| Canonical SMILES | O([SiH](O[Si](C)(C)C)C)[SiH](O[Si](C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H26O3Si4/c1-12(10-14(3,4)5)9-13(2)11-15(6,7)8/h12-13H,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LBPUHXCOWXUVCE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,3,5,7,7,7-Octamethyltetrasiloxane | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 2.4066 | RDKit |
| Molar Refractivity | 75.97300000000004 | RDKit |
