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2,4,6,8-Tetramethyl-2,4,6,8-Tetraphenylcyclotetrasiloxane
CAS: 77-63-4 | C28H32O4Si4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
77-63-4
Molecular Formula:
C28H32O4Si4
Molecular Mass:
544.90 g/mol
Names and Synonyms:
2,4,6,8-Tetramethyl-2,4,6,8-Tetraphenylcyclotetrasiloxane
Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-
2,4,6,8-Tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane
1,3,5,7-Tetramethyltetraphenylcyclotetrasiloxane
Tetramethyltetraphenylcyclotetrasiloane
2,4,6,8-Tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
Identifiers:
SMILES:
C[Si]1(c2ccccc2)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O1
InChI:
InChI=1S/C28H32O4Si4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3
Key Properties
Boiling Point
237 °C
CAS Common Chemistry
Melting Point
99 °C
CAS Common Chemistry
Density
1.13 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 | 544.90 g/mol | CAS Common Chemistry |
| 544.9040000000002 g/mol | RDKit | |
| 544.1377656239999 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.125 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 237 °C | CAS Common Chemistry |
| Canonical SMILES | O1[Si](O[Si](O[Si](O[Si]1(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)(C=4C=CC=CC4)C)(C=5C=CC=CC5)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H32O4Si4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IRVZFACCNZRHSJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99 °C | CAS Common Chemistry |
| Name | 2,4,6,8-Tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 3.9832000000000036 | RDKit |
| Molar Refractivity | 155.11599999999964 | RDKit |
