1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 151751
• Molecular Formular: C30H66O12Si8
• Molecular Mass: 843.52184
• Monoisotopic Mass: 842.27083981
• SMILES: CC(C)C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O2)(O[Si](O3)(O[Si](O4)(O1)C=C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C
• Canonical SMILES: C=C[Si]12O[Si]3(CC(C)C)O[Si]4(O[Si](O2)(CC(C)C)O[Si]2(O[Si](O1)(CC(C)C)O[Si](O3)(CC(C)C)O[Si](O4)(O2)CC(C)C)CC(C)C)CC(C)C
• InChI: InChI=1S/C30H66O12Si8/c1-16-43-31-44(17-24(2)3)34-47(20-27(8)9)36-45(32-43,18-25(4)5)38-49(22-29(12)13)39-46(33-43,19-26(6)7)37-48(35-44,21-28(10)11)41-50(40-47,42-49)23-30(14)15/h16,24-30H,1,17-23H2,2-15H3
• InChIKey: YJYPHYFVIQJBFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: 1-ethenyl-3,5,7,9,11,13,15-heptakis(2-methylpropyl)pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1-Vinyl-3,5,7,9,11,13,15-isobutylpentacyclo-[9.5.1.13,9.15,15.17,13]octasiloxane; MonovinylIsobutyl-POSS®; POSS®-Monovinyl-isobutyl substituted; PSS-Vinyl-Heptaisobutyl substituted; 1-乙烯基-3,5,7,9,11,13,15-异丁基五环-[9.5.1.13,9.15,15.17,13]八硅氧烷; POSS®-单乙烯基-异丁基取代; 单乙烯基异丁基-POSS®; PSS-乙烯基-取代七异丁基

Database IDs

• CAS Number: 444315-18-8
• MDL Number: MFCD03427224
• PubChem SID: 162245901
• PubChem CID: 5159031

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 12.5119
• LogD (pH = 7.4): 12.5119
• Log P: 12.5119
• Molar Refractivity: 160.0378 cm^3
• Polarizability: 84.129776 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetonitrile: insoluble; chloroform: soluble; hexane: soluble; THF: soluble
• Melting Point: 213-219 °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): C30H66O12Si8

DETAILS

Sigma Aldrich - 560367

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