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

• ChemBase ID: 144716
• Molecular Formular: C41H72O13Si9
• Molecular Mass: 1025.77208
• Monoisotopic Mass: 1024.28963115
• SMILES: C=C[Si](C=C)(C=C)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](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)(C=C)C=C
• InChI: InChI=1S/C41H72O13Si9/c1-4-55(5-2,6-3)42-63-52-60(39-29-15-16-30-39)46-57(36-23-9-10-24-36)43-56(35-21-7-8-22-35)44-58(48-60,37-25-11-12-26-37)50-62(54-63,41-33-19-20-34-41)51-59(45-56,38-27-13-14-28-38)49-61(47-57,53-63)40-31-17-18-32-40/h4-6,35-41H,1-3,7-34H2
• InChIKey: YXPZADQYIFWKNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,13-heptacyclopentyl-15-[(triethenylsilyl)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-[(triethenylsilyl)oxy]pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1-(Trivinylsilyloxy)-3,5,7,9,11,13,15-heptacyclopentylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; Trivinylsilyloxy-POSS®; PSS-Trivinylsilyloxy-Heptacyclopentyl substituted; 1-(三乙烯基硅氧基)-3,5,7,9,11,13,15-七环戊基五环[9.5.1.13,9.15,15.17,13]八硅氧烷; 三乙烯基硅氧基-POSS®; PSS-三乙烯基硅氧基-七环戊基取代

Database IDs

• CAS Number: 352538-79-5
• MDL Number: MFCD03486771
• PubChem SID: 162238928
• PubChem CID: 4389806

CALCULATED PROPERTIES

• H Acceptors: 13
• H Donor: 0
• LogD (pH = 5.5): 14.2558
• LogD (pH = 7.4): 14.2558
• Log P: 14.2558
• Molar Refractivity: 199.9022 cm^3
• Polarizability: 102.437294 Å^3
• Polar Surface Area: 119.99 Å^2
• Rotatable Bonds: 12
• 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): C41H72O13Si9

DETAILS

Sigma Aldrich - 527327

Packaging
1, 5 g in glass bottle
Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.