4-[(tert-butyldimethylsilyl)oxy]cyclohex-1-en-1-yl trifluoromethanesulfonate

• ChemBase ID: 796440
• Molecular Formular: C13H23F3O4SSi
• Molecular Mass: 360.4650296
• Monoisotopic Mass: 360.10384141
• SMILES: C(S(=O)(=O)OC1=CCC(CC1)O[Si](C)(C)C(C)(C)C)(F)(F)F
• Canonical SMILES: C[Si](C(C)(C)C)(OC1CCC(=CC1)OS(=O)(=O)C(F)(F)F)C
• InChI: InChI=1S/C13H23F3O4SSi/c1-12(2,3)22(4,5)20-11-8-6-10(7-9-11)19-21(17,18)13(14,15)16/h6,11H,7-9H2,1-5H3
• InChIKey: HOAIDAOBRMADDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(tert-butyldimethylsilyl)oxy]cyclohex-1-en-1-yl trifluoromethanesulfonate
• IUPAC Traditional name: 4-[(tert-butyldimethylsilyl)oxy]cyclohex-1-en-1-yl trifluoromethanesulfonate
• Synonyms: 4-((tert-ButyldiMethylsilyl)oxy)cyclohex-1-en-1-yl trifluoroMethanesulfonate

Database IDs

• CAS Number: 865869-24-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0129
• LogD (pH = 7.4): 4.0129
• Log P: 4.0129
• Molar Refractivity: 75.4894 cm^3
• Polarizability: 31.662863 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%