1-[2-(cyclohex-3-en-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase编号: 135493
• 分子式: C43H76O12Si8
• 平均质量: 1009.74034
• 单一同位素质量: 1008.34909013
• SMILES: C1CCC(C1)[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)CCC1CCC=CC1
• Canonical SMILES: C1=CCC(CC1)CC[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
• InChI: InChI=1S/C43H76O12Si8/c1-2-18-36(19-3-1)34-35-56-44-57(37-20-4-5-21-37)47-60(40-26-10-11-27-40)49-58(45-56,38-22-6-7-23-38)51-62(42-30-14-15-31-42)52-59(46-56,39-24-8-9-25-39)50-61(48-57,41-28-12-13-29-41)54-63(53-60,55-62)43-32-16-17-33-43/h1-2,36-43H,3-35H2
• InChIKey: KBSDLBVPAHQCRY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(cyclohex-3-en-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC传统名: 1-[2-(cyclohex-3-en-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• 别名: 1-[2-(3-环己烯-1-基)乙基]-3,5,7,9,11,13,15-七环戊基五环[9.5.13,9.15,15.17,13]八硅氧烷; 环己烯基乙基-POSS®; PSS-[2-(3-环己烯)乙基]-七环戊基取代; 1-[2-(3-Cyclohexen-1-yl)ethyl]-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.13,9.15,15.17,13]octasiloxane; Cyclohexenylethyl-POSS®; PSS-[2-(3-Cyclohexen-1-yl)ethyl]-Heptacyclopentyl substituted

登记号

• CAS号: 307496-19-1
• MDL号: MFCD02093707
• PubChem SID: 162229767
• PubChem CID: 4452238

理论计算性质

• 质子受体: 12
• 质子供体: 0
• LogD (pH = 5.5): 13.5362
• LogD (pH = 7.4): 13.5362
• Log P: 13.5362
• 摩尔折射率: 207.0938 cm^3
• 极化性: 102.202866 Å^3
• 极化表面积: 110.76 Å^2
• 可自由旋转的化学键: 10
• 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

• 纯度: 97%
• Empirical Formula (Hill Notation): C43H76O12Si8

详细说明

Sigma Aldrich - 517542

法律信息
POSS 注册商标 Hybrid Plastics, Inc.