[(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编号: 301536
• 分子式: C18H32O4Si
• 平均质量: 340.52978
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: [(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传统名: [(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
• 别名: 3-O-tert-Butyldimethylsilyl-4,6-O-cyclohexylidene-D-glucal

登记号

• MDL号: MFCD22989008

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.0752
• LogD (pH = 7.4): 4.0752
• Log P: 4.0752
• 摩尔折射率: 87.5706 cm^3
• 极化性: 37.164833 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• TSCA收录: 否

产品相关信息

• 纯度: 97%