[(4'aR,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)dimethylsilane

• ChemBase ID: 301536
• Molecular Formular: C18H32O4Si
• Molecular Mass: 340.52978
• Monoisotopic Mass: 340.20698604
• SMILES: [C@H]1(C=CO[C@H]2[C@H]1OC1(CCCCC1)OC2)O[Si](C)(C)C(C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(O[C@@H]1C=CO[C@H]2[C@H]1OC1(CCCCC1)OC2)C
• InChI: InChI=1S/C18H32O4Si/c1-17(2,3)23(4,5)22-14-9-12-19-15-13-20-18(21-16(14)15)10-7-6-8-11-18/h9,12,14-16H,6-8,10-11,13H2,1-5H3/t14-,15-,16+/m1/s1
• InChIKey: QAMVGHKHCQTXIJ-OAGGEKHMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4'aR,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)dimethylsilane
• IUPAC Traditional name: [(4'aR,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)dimethylsilane
• Synonyms: 3-O-tert-Butyldimethylsilyl-4,6-O-cyclohexylidene-D-glucal

Database IDs

• MDL Number: MFCD22989008

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0752
• LogD (pH = 7.4): 4.0752
• Log P: 4.0752
• Molar Refractivity: 87.5706 cm^3
• Polarizability: 37.164833 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%