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Hexaphenyldisiloxane
CAS: 1829-40-9 | C36H30OSi2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1829-40-9
Molecular Formula:
C36H30OSi2
Molecular Mass:
534.81 g/mol
Names and Synonyms:
Hexaphenyldisiloxane
Disiloxane, 1,1,1,3,3,3-hexaphenyl-
Disiloxane, hexaphenyl-
1,1,1,3,3,3-Hexaphenyldisiloxane
Hexaphenyldisiloxane
Bis(triphenylsilyl) ether
Bis(triphenylsilicon) oxide
NSC 12574
Identifiers:
SMILES:
c1ccc([Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C36H30OSi2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
Key Properties
Boiling Point
494 °C
CAS Common Chemistry
Melting Point
224-225 °C
CAS Common Chemistry
Density
0.84 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 | 534.81 g/mol | CAS Common Chemistry |
| 534.8070000000002 g/mol | RDKit | |
| 534.18351864 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8445 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 494 °C | CAS Common Chemistry |
| Canonical SMILES | O([Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C36H30OSi2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H | CAS Common Chemistry |
| InChI Key | InChIKey=IVZTVZJLMIHPEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 224-225 °C | CAS Common Chemistry |
| Name | Hexaphenyldisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 4.337200000000004 | RDKit |
| Molar Refractivity | 169.04899999999955 | RDKit |
