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Octaphenylcyclotetrasiloxane
CAS: 546-56-5 | C48H40O4Si4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
546-56-5
Molecular Formula:
C48H40O4Si4
Molecular Mass:
793.19 g/mol
Names and Synonyms:
Octaphenylcyclotetrasiloxane
Cyclotetrasiloxane, 2,2,4,4,6,6,8,8-octaphenyl-
Cyclotetrasiloxane, octaphenyl-
2,2,4,4,6,6,8,8-Octaphenylcyclotetrasiloxane
Octaphenylcyclotetrasiloxane
1,1,3,3,5,5,7,7-Octaphenylcyclotetrasiloxane
Octaphenyltetracyclosiloxane
NSC 293057
LS 8980
SX 12B
2,2,4,4,6,6,8,8-Octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
2,2,4,4,6,6,8,8-Octaphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
F 491
SR 476
P 4
Identifiers:
SMILES:
c1ccc([Si]2(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O[Si](c3ccccc3)(c3ccccc3)O2)cc1
InChI:
InChI=1S/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H
Key Properties
Boiling Point
332 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
200.5 °C
CAS Common Chemistry
Density
1.19 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 | 793.19 g/mol | CAS Common Chemistry |
| 793.1880000000002 g/mol | RDKit | |
| 792.20036588 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.185 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 332 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O1[Si](O[Si](O[Si](O[Si]1(C=2C=CC=CC2)C=3C=CC=CC3)(C=4C=CC=CC4)C=5C=CC=CC5)(C=6C=CC=CC6)C=7C=CC=CC7)(C=8C=CC=CC8)C=9C=CC=CC9 | CAS Common Chemistry |
| InChI | InChI=1S/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H | CAS Common Chemistry |
| InChI Key | InChIKey=VSIKJPJINIDELZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200.5 °C | CAS Common Chemistry |
| Name | Octaphenylcyclotetrasiloxane | CAS Common Chemistry |
| Heavy Atom Count | 56 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 8 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 5.092800000000006 | RDKit |
| Molar Refractivity | 235.96399999999937 | RDKit |
