pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxan-1,3,5,7,9,11,13,15-octakis(olate) octakis(tetramethylazanium) hydrate

• ChemBase编号: 140701
• 分子式: C32H98N8O21Si8
• 平均质量: 1155.84552
• 单一同位素质量: 1154.50006445
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O.[O-][Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)[O-])[O-])[O-])[O-])[O-])[O-])[O-]
• Canonical SMILES: [O-][Si]12O[Si]3([O-])O[Si]4(O[Si](O2)([O-])O[Si]2(O[Si](O1)([O-])O[Si](O3)([O-])O[Si](O4)(O2)[O-])[O-])[O-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O
• InChI: InChI=1S/8C4H12N.O20Si8.H2O/c8*1-5(2,3)4;1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27;/h8*1-4H3;;1H2/q8*+1;-8
• InChIKey: HYWYFSRVEQSCJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxan-1,3,5,7,9,11,13,15-octakis(olate) octakis(tetramethylazanium) hydrate
• IUPAC传统名: pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxan-1,3,5,7,9,11,13,15-octakis(olate) octakis(tetramethylammonium) hydrate
• 别名: 八(四甲基铵)五环[9.5.1.13,9.15,15.17,13]八硅氧烷-1,3,5,7,9,11,13,15-八(基氧化物) 水合物; 四甲基铵基笼形聚倍半硅氧烷; Octakis(tetramethylammonium) pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane-1,3,5,7,9,11,13,15-octakis(yloxide) hydrate; PSS hydrate-Octakis(tetramethylammonium) substituted

登记号

• CAS号: 69667-29-4
• MDL号: MFCD09953881
• PubChem SID: 162234942
• PubChem CID: 71310494

理论计算性质

• Acid pKa: 5.6763363
• 质子受体: 20
• 质子供体: 0
• LogD (pH = 5.5): -4.9559565
• LogD (pH = 7.4): -11.1384945
• Log P: -4.6832
• 摩尔折射率: 27.7456 cm^3
• 极化性: 34.201595 Å^3
• 极化表面积: 295.24 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 135-143 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• Empirical Formula (Hill Notation): C32H96N8O20Si8 · xH2O

详细说明

Sigma Aldrich - 522260

包装
5, 25 g in glass bottle