octakis[2-(trichlorosilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 151760
• Molecular Formular: C16H32Cl24O12Si16
• Molecular Mass: 1716.65808
• Monoisotopic Mass: 1703.0726653
• SMILES: C(C[Si](Cl)(Cl)Cl)[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](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](CC[Si]12O[Si]3(CC[Si](Cl)(Cl)Cl)O[Si]4(O[Si](O2)(CC[Si](Cl)(Cl)Cl)O[Si]2(O[Si](O1)(CC[Si](Cl)(Cl)Cl)O[Si](O3)(CC[Si](Cl)(Cl)Cl)O[Si](O4)(O2)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl)(Cl)Cl
• InChI: InChI=1S/C16H32Cl24O12Si16/c17-53(18,19)1-9-61-41-62(10-2-54(20,21)22)44-65(13-5-57(29,30)31)46-63(42-61,11-3-55(23,24)25)48-67(15-7-59(35,36)37)49-64(43-61,12-4-56(26,27)28)47-66(45-62,14-6-58(32,33)34)51-68(50-65,52-67)16-8-60(38,39)40/h1-16H2
• InChIKey: VRQHRTGJRVVVRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octakis[2-(trichlorosilyl)ethyl]pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: octakis[2-(trichlorosilyl)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-trichlorosilyl)ethyl)pentacyclo-[9.5.1.13,9.15,15.17,13]octasiloxane; Octa(trichlorosilylethyl)-POSS®; POSS®-Octa(trichlorosilylethyl) substituted; PSS-Octa(2-trichlorosilylethyl) substituted; 1,3,5,7,9,11,13,15-八(2-三氯硅基)乙基)五环-[9.5.1.13,9.15,15.17,13]八硅氧烷; POSS®-八(三氯硅基乙基)取代; 八(三氯硅基乙基)-POSS®; PSS-八(2-三氯甲硅烷基乙基)取代

Database IDs

• CAS Number: 214675-88-4
• MDL Number: MFCD03427227
• PubChem SID: 24879877; 162245910
• PubChem CID: 3267238

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 17.4808
• LogD (pH = 7.4): 17.4808
• Log P: 17.4808
• Molar Refractivity: 234.9072 cm^3
• Polarizability: 129.13467 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
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Empirical Formula (Hill Notation): C16H32Cl24O12Si16

DETAILS

Sigma Aldrich - 560588

Packaging
5 g in glass bottle
Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.