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

• ChemBase ID: 144755
• Molecular Formular: C32H80Cl8O12Si16
• Molecular Mass: 1389.9624
• Monoisotopic Mass: 1383.94662395
• SMILES: C[Si](C)(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)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)CC[Si](C)(C)Cl)Cl
• Canonical SMILES: C[Si](CC[Si]12O[Si]3(CC[Si](Cl)(C)C)O[Si]4(O[Si](O2)(CC[Si](Cl)(C)C)O[Si]2(O[Si](O1)(CC[Si](Cl)(C)C)O[Si](O3)(CC[Si](Cl)(C)C)O[Si](O4)(O2)CC[Si](Cl)(C)C)CC[Si](Cl)(C)C)CC[Si](Cl)(C)C)(Cl)C
• InChI: InChI=1S/C32H80Cl8O12Si16/c1-53(2,33)17-25-61-41-62(26-18-54(3,4)34)44-65(29-21-57(9,10)37)46-63(42-61,27-19-55(5,6)35)48-67(31-23-59(13,14)39)49-64(43-61,28-20-56(7,8)36)47-66(45-62,30-22-58(11,12)38)51-68(50-65,52-67)32-24-60(15,16)40/h17-32H2,1-16H3
• InChIKey: NNOFGJDKKSMHOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: octakis[2-(chlorodimethylsilyl)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-Octakis[2-(chlorodimethylsilyl)ethyl]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; PSS-Octakis[2-(Chlorodimethylsilyl)ethyl] substituted; 1,3,5,7,9,11,13,15-八[2-(氯二甲基硅基)乙基]五环[9.5.1.13,9.15,15.17,13]八硅氧烷; PSS-八[2-(氯二甲基硅烷基)乙基]取代

Database IDs

• CAS Number: 243146-51-2
• MDL Number: MFCD03427004
• PubChem SID: 24873969; 162238967
• PubChem CID: 5056609

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 16.2664
• LogD (pH = 7.4): 16.2664
• Log P: 16.2664
• Molar Refractivity: 232.5168 cm^3
• Polarizability: 126.71369 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• 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): C32H80Cl8O12Si16

DETAILS

Sigma Aldrich - 517712

Packaging
1 g in glass bottle