1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris({dimethyl[3-(oxiran-2-ylmethoxy)propyl]silyl}oxy)tricyclo[7.3.3.15,11]heptasiloxane

• ChemBase ID: 138553
• Molecular Formular: C59H114O18Si10
• Molecular Mass: 1392.38066
• Monoisotopic Mass: 1390.56978213
• SMILES: C[Si](C)(CCCOCC1CO1)O[Si]1(O[Si]2(O[Si]3(O[Si](O1)(O[Si](O[Si](O3)(O[Si](O2)(C1CCCC1)O[Si](C)(C)CCCOCC1CO1)C1CCCC1)(C1CCCC1)O[Si](C)(C)CCCOCC1CO1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
• Canonical SMILES: C[Si](O[Si]1(O[Si]2(O[Si](O[Si](CCCOCC3OC3)(C)C)(O[Si]3(O[Si](O2)(O[Si](O1)(O[Si](O[Si](CCCOCC1OC1)(C)C)(O3)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(CCCOCC1OC1)C
• InChI: InChI=1S/C59H114O18Si10/c1-78(2,41-21-38-60-44-50-47-63-50)66-81(53-24-7-8-25-53)69-84(56-30-13-14-31-56)71-82(54-26-9-10-27-54,67-79(3,4)42-22-39-61-45-51-48-64-51)73-86(58-34-17-18-35-58)74-83(55-28-11-12-29-55,68-80(5,6)43-23-40-62-46-52-49-65-52)72-85(70-81,57-32-15-16-33-57)76-87(75-84,77-86)59-36-19-20-37-59/h50-59H,7-49H2,1-6H3
• InChIKey: SCSHXNSAPZJPEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris({dimethyl[3-(oxiran-2-ylmethoxy)propyl]silyl}oxy)tricyclo[7.3.3.1^5,^1^1]heptasiloxane
• IUPAC Traditional name: 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-tris({dimethyl[3-(oxiran-2-ylmethoxy)propyl]silyl}oxy)tricyclo[7.3.3.1^5,^1^1]heptasiloxane
• Synonyms: 3,7,14-Tris{[3-(epoxypropoxy)propyl]dimethylsilyloxy}-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane; Tris[(epoxypropoxypropyl)dimethylsilyloxy]-POSS®; 3,7,14-三{[3-(环氧丙氧基)丙基]二甲基硅氧基}-1,3,5,7,9,11,14-七环戊基三环[7.3.3.15,11]七硅氧烷; 三[(环氧丙氧基丙基)二甲基硅氧基]-POSS®

Database IDs

• CAS Number: 307496-38-4
• PubChem SID: 162232807
• PubChem CID: 5148279

CALCULATED PROPERTIES

• H Acceptors: 18
• H Donor: 0
• LogD (pH = 5.5): 14.4225
• LogD (pH = 7.4): 14.4225
• Log P: 14.4225
• Molar Refractivity: 296.0034 cm^3
• Polarizability: 142.0085 Å^3
• Polar Surface Area: 176.04 Å^2
• Rotatable Bonds: 31
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: n20/D >1.4850(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): C59H114O18Si10

DETAILS

Sigma Aldrich - 523585

Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.