{[(8R,8aR)-2-(4-methoxyphenyl)-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}(tert-butyl)dimethylsilane

• ChemBase ID: 301753
• Molecular Formular: C20H30O5Si
• Molecular Mass: 378.5347
• Monoisotopic Mass: 378.18625059
• SMILES: [C@H]1(C=COC2[C@H]1OC(OC2)c1ccc(cc1)OC)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: COc1ccc(cc1)C1OCC2[C@@H](O1)[C@@H](C=CO2)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C20H30O5Si/c1-20(2,3)26(5,6)25-16-11-12-22-17-13-23-19(24-18(16)17)14-7-9-15(21-4)10-8-14/h7-12,16-19H,13H2,1-6H3/t16-,17?,18+,19?/m1/s1
• InChIKey: ZTRSSQRWGPRALW-RRENTHDGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[(8R,8aR)-2-(4-methoxyphenyl)-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}(tert-butyl)dimethylsilane
• IUPAC Traditional name: {[(8R,8aR)-2-(4-methoxyphenyl)-2H,4H,4aH,8H,8aH-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}(tert-butyl)dimethylsilane
• Synonyms: 3-O-tert-Butyldimethylsilyl-4,6-O-(4-methoxybenzylidene)-D-glucal

Database IDs

• CAS Number: 384346-91-2
• MDL Number: MFCD01863523

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.9057
• LogD (pH = 7.4): 3.9057
• Log P: 3.9057
• Molar Refractivity: 96.974 cm^3
• Polarizability: 40.788937 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%