1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase编号: 151820
• 分子式: C36H76O13Si8
• 平均质量: 941.66484
• 单一同位素质量: 940.34400475
• SMILES: CC(C)C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCC1CCC2C(C1)O2
• Canonical SMILES: CC(C[Si]12O[Si]3(CCC4CCC5C(C4)O5)O[Si]4(O[Si](O2)(CC(C)C)O[Si]2(O[Si](O1)(CC(C)C)O[Si](O3)(CC(C)C)O[Si](O4)(O2)CC(C)C)CC(C)C)CC(C)C)C
• InChI: InChI=1S/C36H76O13Si8/c1-27(2)20-51-38-50(18-17-34-15-16-35-36(19-34)37-35)39-52(21-28(3)4)43-54(41-51,23-30(7)8)47-57(26-33(13)14)48-55(42-51,24-31(9)10)44-53(40-50,22-29(5)6)46-56(45-52,49-57)25-32(11)12/h27-36H,15-26H2,1-14H3
• InChIKey: QTQGKCPAEXMQMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC传统名: 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-(2-{7-oxabicyclo[4.1.0]heptan-3-yl}ethyl)pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• 别名: 1-[2-(3,4-环氧环己基)乙基]-3,5,7,9,11,13,15-异丁基五环[9.5.1.13,9.15,15.17,13]八硅氧烷; POSS®-环氧环己基-异丁基取代; 环氧环己基异丁基-POSS®; PSS-[2-(3,4-环氧环己基)乙基]-取代七异丁基; 1-[2-(3,4-Epoxycyclohexyl)ethyl]-3,5,7,9,11,13,15-isobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; EpoxyCyclohexylIsobutyl-POSS®; POSS®-Epoxycyclohexyl-isobutyl substituted; PSS-[2-(3,4-Epoxycyclohexyl)ethyl]-Heptaisobutyl substituted

登记号

• CAS号: 445379-56-6
• PubChem SID: 162245966
• PubChem CID: 3694685

理论计算性质

• 质子受体: 13
• 质子供体: 0
• LogD (pH = 5.5): 12.9017
• LogD (pH = 7.4): 12.9017
• Log P: 12.9017
• 摩尔折射率: 185.9485 cm^3
• 极化性: 94.6592 Å^3
• 极化表面积: 123.29 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: acetonitrile: insoluble; chloroform: soluble; hexane: soluble; THF: soluble

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): C36H76O13Si8

详细说明

Sigma Aldrich - 560316

包装
5 g in glass bottle
法律信息
POSS 注册商标 Hybrid Plastics, Inc.