1,3,5,7,9,11,13-heptacyclopentyl-15-[(ethenyldiphenylsilyl)oxy]pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 145289
• Molecular Formular: C49H76O13Si9
• Molecular Mass: 1125.88944
• Monoisotopic Mass: 1124.32093128
• SMILES: C=C[Si](c1ccccc1)(c1ccccc1)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=C[Si](c1ccccc1)(c1ccccc1)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
• InChI: InChI=1S/C49H76O13Si9/c1-2-63(41-23-5-3-6-24-41,42-25-7-4-8-26-42)50-71-60-68(47-35-17-18-36-47)54-65(44-29-11-12-30-44)51-64(43-27-9-10-28-43)52-66(56-68,45-31-13-14-32-45)58-70(62-71,49-39-21-22-40-49)59-67(53-64,46-33-15-16-34-46)57-69(55-65,61-71)48-37-19-20-38-48/h2-8,23-26,43-49H,1,9-22,27-40H2
• InChIKey: RPKVGQZTLKOUOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,13-heptacyclopentyl-15-[(ethenyldiphenylsilyl)oxy]pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: 1,3,5,7,9,11,13-heptacyclopentyl-15-[(ethenyldiphenylsilyl)oxy]pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: (Diphenylvinylsilyloxy)heptacyclopentylpentacyclooctasiloxane; Diphenylvinylsilyloxy-POSS®; PSS-Diphenylvinylsilyloxy-heptacyclopentyl substituted; (联苯基乙烯基硅氧基)七环戊基五环八硅氧烷; 联苯基乙烯基硅氧基-POSS®; PSS-联苯基乙烯基硅氧基-七环戊基取代

Database IDs

• CAS Number: 312693-49-5
• MDL Number: MFCD02683496
• PubChem SID: 162239496
• PubChem CID: 4418605

CALCULATED PROPERTIES

• H Acceptors: 13
• H Donor: 0
• LogD (pH = 5.5): 16.398
• LogD (pH = 7.4): 16.398
• Log P: 16.398
• Molar Refractivity: 231.8862 cm^3
• Polarizability: 114.649895 Å^3
• Polar Surface Area: 119.99 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 211-216 °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): C49H76O13Si9

DETAILS

Sigma Aldrich - 527300

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