1,3,5,7,9,11,13-heptacyclopentyl-15-{[ethenyl(methyl)phenylsilyl]oxy}pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase编号: 136792
• 分子式: C44H74O13Si9
• 平均质量: 1063.82006
• 单一同位素质量: 1062.30528122
• SMILES: C[Si](C=C)(c1ccccc1)O[Si]12O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O1)(O[Si](O5)(O[Si](O4)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
• Canonical SMILES: C=C[Si](c1ccccc1)(O[Si]12O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O1)(O[Si](O3)(O[Si](O4)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C
• InChI: InChI=1S/C44H74O13Si9/c1-3-58(2,37-21-5-4-6-22-37)45-66-55-63(42-31-15-16-32-42)49-60(39-25-9-10-26-39)46-59(38-23-7-8-24-38)47-61(51-63,40-27-11-12-28-40)53-65(57-66,44-35-19-20-36-44)54-62(48-59,41-29-13-14-30-41)52-64(50-60,56-66)43-33-17-18-34-43/h3-6,21-22,38-44H,1,7-20,23-36H2,2H3
• InChIKey: SPXNPTBFZARTRX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,5,7,9,11,13-heptacyclopentyl-15-{[ethenyl(methyl)phenylsilyl]oxy}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-heptacyclopentyl-15-{[ethenyl(methyl)phenylsilyl]oxy}pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• 别名: (甲苯基乙烯基硅氧基)七环戊基五环八硅氧烷; 甲苯基乙烯基硅氧基-POSS®; PSS-甲苯基乙烯基硅氧基-七环戊基取代物; (Methylphenylvinylsilyloxy)heptacyclopentylpentacyclooctasiloxane; Methylphenylvinylsilyloxy-POSS®; PSS-Methylphenylvinylsilyloxy-Heptacyclopentyl substituted

登记号

• CAS号: 312693-48-4
• MDL号: MFCD02683495
• PubChem SID: 162231061
• PubChem CID: 4156824

理论计算性质

• 质子受体: 13
• 质子供体: 0
• LogD (pH = 5.5): 13.5669
• LogD (pH = 7.4): 13.5669
• Log P: 13.5669
• 摩尔折射率: 212.192 cm^3
• 极化性: 106.959076 Å^3
• 极化表面积: 119.99 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 245-249 °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

• 纯度: 97%
• Empirical Formula (Hill Notation): C44H74O13Si9

详细说明

Sigma Aldrich - 527297

法律信息
POSS 注册商标 Hybrid Plastics, Inc.