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Molecule
Hexaphenyldisiloxane
CAS: 1829-40-9 · C36H30OSi2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1829-40-9
- Molecular Formula
- C36H30OSi2
- Molecular Mass
- 534.81 g/mol
Identifiers
CAS Registry Number
1829-40-9
SMILES
c1ccc([Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI Key
IVZTVZJLMIHPEY-UHFFFAOYSA-N
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
Names and Synonyms
- Hexaphenyldisiloxane Common Name
- Disiloxane, 1,1,1,3,3,3-hexaphenyl- Synonym
- Disiloxane, hexaphenyl- Synonym
- 1,1,1,3,3,3-Hexaphenyldisiloxane Synonym
- Hexaphenyldisiloxane Synonym
- Bis(triphenylsilyl) ether Synonym
- Bis(triphenylsilicon) oxide Synonym
- NSC 12574 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 534.81 g/mol | CAS Common Chemistry |
| 534.8070000000002 g/mol | RDKit | |
| 534.807 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8445 g/cm3 @ 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 |
| 4.3372 | RDKit | |
| Molar Refractivity | 169.04899999999955 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 534.18351864 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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.
External Resources
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MW = 534.81 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
