4,6-dicyclohexyl-4,6-bis[(dimethylsilyl)oxy]-2,8-dimethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane

• ChemBase ID: 147274
• Molecular Formular: C20H50O5Si6
• Molecular Mass: 539.121
• Monoisotopic Mass: 538.22738389
• SMILES: C[SiH](C)O[Si](C1CCCCC1)(O[SiH](C)C)O[Si](C1CCCCC1)(O[SiH](C)C)O[SiH](C)C
• Canonical SMILES: C[SiH](O[Si](C1CCCCC1)(O[Si](C1CCCCC1)(O[SiH](C)C)O[SiH](C)C)O[SiH](C)C)C
• InChI: InChI=1S/C20H50O5Si6/c1-26(2)21-30(22-27(3)4,19-15-11-9-12-16-19)25-31(23-28(5)6,24-29(7)8)20-17-13-10-14-18-20/h19-20,26-29H,9-18H2,1-8H3
• InChIKey: HJKBTTMHLNLRGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dicyclohexyl-4,6-bis[(dimethylsilyl)oxy]-2,8-dimethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane
• IUPAC Traditional name: 4,6-dicyclohexyl-4,6-bis[(dimethylsilyl)oxy]-2,8-dimethyl-3,5,7-trioxa-2,4,6,8-tetrasilanonane
• Synonyms: 1,3-Dicyclohexyl-1,1,3,3-tetrakis(dimethylsilyloxy)disiloxane; 1,3-二环己基-1,1,3,3-四(二甲基硅氧基)二甲硅醚

Database IDs

• CAS Number: 302912-36-3
• MDL Number: MFCD02093728
• PubChem SID: 162241464; 24874086
• PubChem CID: 45052136

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.6028
• LogD (pH = 7.4): 3.6028
• Log P: 3.6028
• Molar Refractivity: 109.366 cm^3
• Polarizability: 57.216583 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 0.958 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.44(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Linear Formula: [[HSi(CH3)2O]2Si(C6H11)]2O

DETAILS

Sigma Aldrich - 520004

Packaging
5 mL in glass bottle