2,2,4,6,8,8-hexamethyl-4,6-bis[(trimethylsilyl)oxy]-3,5,7-trioxa-2,4,6,8-tetrasilanonane

• ChemBase ID: 152934
• Molecular Formular: C14H42O5Si6
• Molecular Mass: 458.99328
• Monoisotopic Mass: 458.16478364
• SMILES: C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C
• InChI: InChI=1S/C14H42O5Si6/c1-20(2,3)15-24(13,16-21(4,5)6)19-25(14,17-22(7,8)9)18-23(10,11)12/h1-14H3
• InChIKey: PMBZCSBOBLHPSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,6,8,8-hexamethyl-4,6-bis[(trimethylsilyl)oxy]-3,5,7-trioxa-2,4,6,8-tetrasilanonane
• IUPAC Traditional name: 2,2,4,6,8,8-hexamethyl-4,6-bis[(trimethylsilyl)oxy]-3,5,7-trioxa-2,4,6,8-tetrasilanonane
• Synonyms: 1,1,1,3,5,7,7,7-Octamethyl-3,5-bis(trimethylsilanyloxy)tetrasiloxane; 1,1,1,3,5,7,7,7-八甲基-3,5-二(三甲基硅烷氧基)四硅氧烷

Database IDs

• CAS Number: 2003-92-1
• MDL Number: MFCD04039928
• PubChem SID: 162247076; 24880695
• PubChem CID: 553110

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.9826
• LogD (pH = 7.4): 6.9826
• Log P: 6.9826
• Molar Refractivity: 86.7628 cm^3
• Polarizability: 47.651745 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 121 °C/10 mmHg(lit.)
• Flash Point: >110 °C; >230 °F
• Density: 0.885 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: O[Si[OSi(CH3)3]2CH3]2

DETAILS

Sigma Aldrich - 573922

Packaging
25 g in glass bottle