octakis({2-[dichloro(methyl)silyl]ethyl})pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 139154
• Molecular Formular: C24H56Cl16O12Si16
• Molecular Mass: 1553.31024
• Monoisotopic Mass: 1543.50964462
• SMILES: C[Si](CC[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)CC[Si](C)(Cl)Cl)CC[Si](C)(Cl)Cl)CC[Si](C)(Cl)Cl)CC[Si](C)(Cl)Cl)CC[Si](C)(Cl)Cl)CC[Si](C)(Cl)Cl)CC[Si](C)(Cl)Cl)(Cl)Cl
• Canonical SMILES: C[Si](CC[Si]12O[Si]3(CC[Si](Cl)(Cl)C)O[Si]4(O[Si](O2)(CC[Si](Cl)(Cl)C)O[Si]2(O[Si](O1)(CC[Si](Cl)(Cl)C)O[Si](O3)(CC[Si](Cl)(Cl)C)O[Si](O4)(O2)CC[Si](Cl)(Cl)C)CC[Si](Cl)(Cl)C)CC[Si](Cl)(Cl)C)(Cl)Cl
• InChI: InChI=1S/C24H56Cl16O12Si16/c1-53(25,26)9-17-61-41-62(18-10-54(2,27)28)44-65(21-13-57(5,33)34)46-63(42-61,19-11-55(3,29)30)48-67(23-15-59(7,37)38)49-64(43-61,20-12-56(4,31)32)47-66(45-62,22-14-58(6,35)36)51-68(50-65,52-67)24-16-60(8,39)40/h9-24H2,1-8H3
• InChIKey: MDMMMCAXUVGFLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octakis({2-[dichloro(methyl)silyl]ethyl})pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: octakis({2-[dichloro(methyl)silyl]ethyl})pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1,3,5,7,9,11,13,15-Octa[2-(dichloromethylsilyl)ethyl]pentacyclo-[9.5.1.13,9.15,15.17,13]octasiloxane; Octa(dichlorosilylethyl)-POSS®; POSS®-Octa(dichlorosilylethyl) substituted; PSS-Octa(2-dichloromethylsilylethyl) substituted; 1,3,5,7,9,11,13,15-八[2-(二氯甲基硅基)乙基]五环-[9.5.1.13,9.15,15.17,13]八硅氧烷; POSS®-八(二氯硅基乙基)取代; 八(二氯硅基乙基)-POSS®; PSS-八(2-二氯甲基硅基乙基)取代

Database IDs

• CAS Number: 314727-18-9
• MDL Number: MFCD03427226
• PubChem SID: 162233402
• PubChem CID: 4283515

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 13.5944
• LogD (pH = 7.4): 13.5944
• Log P: 13.5944
• Molar Refractivity: 233.3824 cm^3
• Polarizability: 127.72148 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetonitrile: insoluble; chloroform: soluble; THF: soluble
• Melting Point: >300 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C24H56Cl16O12Si16

DETAILS

Sigma Aldrich - 560561

Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.