octaphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

• ChemBase ID: 156238
• Molecular Formular: C48H40O4Si4
• Molecular Mass: 793.1708
• Monoisotopic Mass: 792.20036589
• SMILES: c1ccc(cc1)[Si]1(O[Si](O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[Si]1(O[Si](O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• 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
• InChIKey: VSIKJPJINIDELZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octaphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• IUPAC Traditional name: octaphenyl tetracyclosiloxane
• Synonyms: Octaphenylcyclotetrasiloxane; 2,2,4,4,6,6,8,8-Octaphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane; 辛基苯基环四硅氧烷; 八苯基环四硅氧烷

Database IDs

• CAS Number: 546-56-5
• EC Number: 208-904-9
• MDL Number: MFCD00003268
• Beilstein Number: 2320758
• PubChem SID: 162250376; 24886751
• PubChem CID: 68347

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 15.7704
• LogD (pH = 7.4): 15.7704
• Log P: 15.7704
• Molar Refractivity: 209.1952 cm^3
• Polarizability: 91.290794 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ~200 °C; 196-198 °C(lit.); 197-204°C
• Boiling Point: 332°C/1mm
• Flash Point: 200 °C; 392 °F

Safety Information

• RTECS: GZ4398500
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (CH); 95+%; 98+%
• Grade: purum
• Linear Formula: [-Si(C6H5)2O-]4

REFERENCES

• Silicone intermediate.