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Molecule
2,4,6,8-Tetramethyl-2,4,6,8-Tetraphenylcyclotetrasiloxane
CAS: 77-63-4 · C28H32O4Si4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 77-63-4
- Molecular Formula
- C28H32O4Si4
- Molecular Mass
- 544.90 g/mol
Identifiers
CAS Registry Number
77-63-4
SMILES
C[Si]1(c2ccccc2)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O1
InChI Key
IRVZFACCNZRHSJ-UHFFFAOYSA-N
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
Names and Synonyms
- 2,4,6,8-Tetramethyl-2,4,6,8-Tetraphenylcyclotetrasiloxane Synonym
- Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl- Synonym
- 2,4,6,8-Tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane Synonym
- 1,3,5,7-Tetramethyltetraphenylcyclotetrasiloxane Synonym
- Tetramethyltetraphenylcyclotetrasiloane Synonym
- 2,4,6,8-Tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 544.90 g/mol | CAS Common Chemistry |
| 544.9040000000002 g/mol | RDKit | |
| 544.904 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.125 g/cm3 @ 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 |
| 3.9832 | RDKit | |
| Molar Refractivity | 155.11599999999964 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 544.1377656239999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 544.90 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
