1,3,5,7,9,11,13-heptacyclopentyl-15-{[dimethyl(prop-2-en-1-yl)silyl]oxy}pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase编号: 136725
• 分子式: C40H74O13Si9
• 平均质量: 1015.77726
• 单一同位素质量: 1014.30528122
• SMILES: C[Si](C)(CC=C)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=CC[Si](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)C
• InChI: InChI=1S/C40H74O13Si9/c1-4-33-54(2,3)41-62-51-59(38-27-13-14-28-38)45-56(35-21-7-8-22-35)42-55(34-19-5-6-20-34)43-57(47-59,36-23-9-10-24-36)49-61(53-62,40-31-17-18-32-40)50-58(44-55,37-25-11-12-26-37)48-60(46-56,52-62)39-29-15-16-30-39/h4,34-40H,1,5-33H2,2-3H3
• InChIKey: VAFAOLQATIQPHK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,5,7,9,11,13-heptacyclopentyl-15-{[dimethyl(prop-2-en-1-yl)silyl]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-{[dimethyl(prop-2-en-1-yl)silyl]oxy}pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• 别名: 1-(烯丙基二甲基硅氧基)-3,5,7,9,11,13,15-七环戊基五环[9.5.1.13,9.15,15.17,13]八硅氧烷; 烯丙基二甲基硅氧基-POSS®; PSS-烯丙基二甲基硅氧基庚环戊烷取代基; PSS-Allyldimethylsilyoxy-Heptacyclopentyl substituted; 1-(Allyldimethylsilyloxy)-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; Allyldimethylsilyloxy-POSS®

登记号

• CAS号: 352538-78-4
• MDL号: MFCD03486772
• PubChem SID: 162230995
• PubChem CID: 4575622

理论计算性质

• 质子受体: 13
• 质子供体: 0
• LogD (pH = 5.5): 13.4462
• LogD (pH = 7.4): 13.4462
• Log P: 13.4462
• 摩尔折射率: 197.9305 cm^3
• 极化性: 101.10709 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: >300 °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): C40H74O13Si9

详细说明

Sigma Aldrich - 527319

法律信息
POSS 注册商标 Hybrid Plastics, Inc.