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

• ChemBase ID: 151821
• Molecular Formular: C34H74O14Si8
• Molecular Mass: 931.62696
• Monoisotopic Mass: 930.3232693
• 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)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CCCOCC1CO1
• Canonical SMILES: CC(C[Si]12O[Si]3(CCCOCC4CO4)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)C
• InChI: InChI=1S/C34H74O14Si8/c1-27(2)20-50-37-49(17-15-16-35-18-34-19-36-34)38-51(21-28(3)4)42-53(40-50,23-30(7)8)46-56(26-33(13)14)47-54(41-50,24-31(9)10)43-52(39-49,22-29(5)6)45-55(44-51,48-56)25-32(11)12/h27-34H,15-26H2,1-14H3
• InChIKey: GYEWKQMKBZAVJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5,7,9,11,13-heptakis(2-methylpropyl)-15-[3-(oxiran-2-ylmethoxy)propyl]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-heptakis(2-methylpropyl)-15-[3-(oxiran-2-ylmethoxy)propyl]pentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1-(3-Glycidyl)propoxy-3,5,7,9,11,13,15-isobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; Glycidylisobutyl-POSS®; POSS®-Glycidyl-isobutyl substituted; PSS-(3-Glycidyl)propoxy-Heptaisobutyl substituted; 1-(3-缩水甘油基)丙氧基-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®-缩水甘油基-异丁基取代; 缩水甘油基异丁基-POSS®; PSS-(3-缩水甘油基)丙氧基-取代七异丁基

Database IDs

• CAS Number: 444315-17-7
• PubChem SID: 162245967
• PubChem CID: 4126588

CALCULATED PROPERTIES

• H Acceptors: 14
• H Donor: 0
• LogD (pH = 5.5): 11.5774
• LogD (pH = 7.4): 11.5774
• Log P: 11.5774
• Molar Refractivity: 180.6582 cm^3
• Polarizability: 92.454834 Å^3
• Polar Surface Area: 132.52 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: acetonitrile: insoluble; chloroform: soluble; hexane: soluble; THF: soluble
• Melting Point: 122-129 °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): C34H74O14Si8

DETAILS

Sigma Aldrich - 560324

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