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2,2,4,4,6,6-Hexaethylcyclotrisiloxane
CAS: 2031-79-0 | C12H30O3Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2031-79-0
Molecular Formula:
C12H30O3Si3
Molecular Mass:
306.63 g/mol
Names and Synonyms:
2,2,4,4,6,6-Hexaethylcyclotrisiloxane
Cyclotrisiloxane, 2,2,4,4,6,6-hexaethyl-
Cyclotrisiloxane, hexaethyl-
2,2,4,4,6,6-Hexaethylcyclotrisiloxane
Hexaethylcyclotrisiloxane
1,1,3,3,5,5-Hexaethylcyclotrisiloxane
2,2,4,4,6,6-Hexaethyl-1,3,5,2,4,6-trioxatrisilinane
Identifiers:
SMILES:
CC[Si]1(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1
InChI:
InChI=1S/C12H30O3Si3/c1-7-16(8-2)13-17(9-3,10-4)15-18(11-5,12-6)14-16/h7-12H2,1-6H3
Key Properties
Boiling Point
117 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
14 °C
CAS Common Chemistry
Density
0.96 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 | 306.63 g/mol | CAS Common Chemistry |
| 306.62700000000007 g/mol | RDKit | |
| 306.15027440999995 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.955 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 117 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O1[Si](O[Si](O[Si]1(CC)CC)(CC)CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C12H30O3Si3/c1-7-16(8-2)13-17(9-3,10-4)15-18(11-5,12-6)14-16/h7-12H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KMPBCFZCRNKXSA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 14 °C | CAS Common Chemistry |
| Name | 2,2,4,4,6,6-Hexaethylcyclotrisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 18 | 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 | 4.4958000000000045 | RDKit |
| Molar Refractivity | 83.40300000000006 | RDKit |
