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

• ChemBase ID: 301182
• Molecular Formular: C15H28O4Si
• Molecular Mass: 300.46592
• Monoisotopic Mass: 300.17568591
• SMILES: [C@H]1(C=CO[C@H]2[C@H]1OC(OC2)(C)C)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC1(C)OC[C@@H]2[C@@H](O1)[C@@H](C=CO2)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13+/m1/s1
• InChIKey: PYHWHKQRALSXOY-UPJWGTAASA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 121846-11-5
• MDL Number: MFCD22988990

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0461
• LogD (pH = 7.4): 3.0461
• Log P: 3.0461
• Molar Refractivity: 75.8342 cm^3
• Polarizability: 32.375076 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%