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Molecule
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
Identifiers
CAS Registry Number
2031-79-0
SMILES
CC[Si]1(CC)O[Si](CC)(CC)O[Si](CC)(CC)O1
InChI Key
KMPBCFZCRNKXSA-UHFFFAOYSA-N
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
Names and Synonyms
- 2,2,4,4,6,6-Hexaethylcyclotrisiloxane Synonym
- Cyclotrisiloxane, 2,2,4,4,6,6-hexaethyl- Synonym
- Cyclotrisiloxane, hexaethyl- Synonym
- 2,2,4,4,6,6-Hexaethylcyclotrisiloxane Synonym
- Hexaethylcyclotrisiloxane Synonym
- 1,1,3,3,5,5-Hexaethylcyclotrisiloxane Synonym
- 2,2,4,4,6,6-Hexaethyl-1,3,5,2,4,6-trioxatrisilinane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 306.63 g/mol | CAS Common Chemistry |
| 306.62700000000007 g/mol | RDKit | |
| 306.627 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.955 g/cm3 | 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 |
| 4.4958 | RDKit | |
| 4.55 | chempirical lib | |
| Molar Refractivity | 83.40300000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 306.15027440999995 g/mol | RDKit |
| Boiling Point | 117 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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 = 306.63 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
