{[2,6-bis(trifluoromethyl)-6-[(trimethylsilyl)oxy]bicyclo[3.3.1]nonan-2-yl]oxy}trimethylsilane

• ChemBase ID: 96276
• Molecular Formular: C17H30F6O2Si2
• Molecular Mass: 436.5803192
• Monoisotopic Mass: 436.16885258
• SMILES: O(C1(C2CCC(C(F)(F)F)(C(C2)CC1)O[Si](C)(C)C)C(F)(F)F)[Si](C)(C)C
• Canonical SMILES: C[Si](OC1(CCC2CC1CCC2(O[Si](C)(C)C)C(F)(F)F)C(F)(F)F)(C)C
• InChI: InChI=1S/C17H30F6O2Si2/c1-26(2,3)24-14(16(18,19)20)9-7-13-11-12(14)8-10-15(13,17(21,22)23)25-27(4,5)6/h12-13H,7-11H2,1-6H3
• InChIKey: DZFQSRPDBPDJKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2,6-bis(trifluoromethyl)-6-[(trimethylsilyl)oxy]bicyclo[3.3.1]nonan-2-yl]oxy}trimethylsilane
• IUPAC Traditional name: {[2,6-bis(trifluoromethyl)-6-[(trimethylsilyl)oxy]bicyclo[3.3.1]nonan-2-yl]oxy}trimethylsilane
• Synonyms: ({2,6-di(trifluoromethyl)-6-[(1,1,1-trimethylsilyl)oxy]bicyclo[3.3.1]non-2-yl}oxy)(trimethyl)silane

Database IDs

• MDL Number: MFCD09259022
• PubChem SID: 162082925
• PubChem CID: 2781246

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.0517
• LogD (pH = 7.4): 6.0517
• Log P: 6.0517
• Molar Refractivity: 85.6182 cm^3
• Polarizability: 36.65229 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false