octacyclohexylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 151277
• Molecular Formular: C48H88O12Si8
• Molecular Mass: 1081.88912
• Monoisotopic Mass: 1080.44299051
• SMILES: C1CCC(CC1)[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[Si]12O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O1)(O[Si](O3)(O[Si](O4)(O2)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C48H88O12Si8/c1-9-25-41(26-10-1)61-49-62(42-27-11-2-12-28-42)52-65(45-33-17-5-18-34-45)54-63(50-61,43-29-13-3-14-30-43)56-67(47-37-21-7-22-38-47)57-64(51-61,44-31-15-4-16-32-44)55-66(53-62,46-35-19-6-20-36-46)59-68(58-65,60-67)48-39-23-8-24-40-48/h41-48H,1-40H2
• InChIKey: PKECSYKMBXYFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octacyclohexylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: octacyclohexylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1,3,5,7,9,11,13,15-Octacyclohexylpentacyclooctasiloxane; Octacyclohexyl-POSS®; PSS-Octacyclohexyl substituted; 1,3,5,7,9,11,13,15-八环己基五环八硅氧烷; 八环己基-POSS®; 八环己基取代的 PSS

Database IDs

• CAS Number: 3809-28-7
• PubChem SID: 162245433
• PubChem CID: 4564396

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 15.9024
• LogD (pH = 7.4): 15.9024
• Log P: 15.9024
• Molar Refractivity: 228.8992 cm^3
• Polarizability: 111.60562 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >350 °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): C48H88O12Si8

DETAILS

Sigma Aldrich - 534412

Packaging
1, 10 g in glass bottle
Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.