[(8'R,8'aR)-4',4'a,8',8'a-tetrahydrospiro[cyclohexane-1,2'-pyrano[3,2-d][1,3]dioxine]-8'-yloxy](tert-butyl)diphenylsilane

• ChemBase ID: 301285
• Molecular Formular: C28H36O4Si
• Molecular Mass: 464.66854
• Monoisotopic Mass: 464.23828616
• SMILES: [C@H]1(C=COC2[C@H]1OC1(CCCCC1)OC2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• Canonical SMILES: CC([Si](c1ccccc1)(c1ccccc1)O[C@@H]1C=COC2[C@H]1OC1(OC2)CCCCC1)(C)C
• InChI: InChI=1S/C28H36O4Si/c1-27(2,3)33(22-13-7-4-8-14-22,23-15-9-5-10-16-23)32-24-17-20-29-25-21-30-28(31-26(24)25)18-11-6-12-19-28/h4-5,7-10,13-17,20,24-26H,6,11-12,18-19,21H2,1-3H3/t24-,25?,26+/m1/s1
• InChIKey: KNJMNDGEMIBXDM-ITNFAHLUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(8'R,8'aR)-4',4'a,8',8'a-tetrahydrospiro[cyclohexane-1,2'-pyrano[3,2-d][1,3]dioxine]-8'-yloxy](tert-butyl)diphenylsilane
• IUPAC Traditional name: [(8'R,8'aR)-4',4'a,8',8'a-tetrahydrospiro[cyclohexane-1,2'-pyrano[3,2-d][1,3]dioxine]-8'-yloxy](tert-butyl)diphenylsilane
• Synonyms: 3-O-tert-Butyldiphenylsilyl-4,6-O-cyclohexylidene-D-glucal

Database IDs

• MDL Number: MFCD22988997

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.2274
• LogD (pH = 7.4): 7.2274
• Log P: 7.2274
• Molar Refractivity: 126.959 cm^3
• Polarizability: 52.66125 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%