octamethylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 147830
• Molecular Formular: C8H24O12Si8
• Molecular Mass: 536.95296
• Monoisotopic Mass: 535.94218846
• SMILES: 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)C)C)C)C)C
• Canonical SMILES: C[Si]12O[Si]3(C)O[Si]4(O[Si](O2)(C)O[Si]2(O[Si](O1)(C)O[Si](O3)(C)O[Si](O4)(O2)C)C)C
• InChI: InChI=1S/C8H24O12Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h1-8H3
• InChIKey: SOQGBGSEJYZNPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octamethylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: octamethylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1,3,5,7,9,11,13,15-Octamethylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; Octamethylsilsesquioxane; PSS-Octamethyl substituted; 1,3,5,7,9,11,13,15-八甲基五环[9.5.1.13,9.15,15.17,13]八硅氧烷; 八甲基八硅倍半氧烷; 八甲基-POSS

Database IDs

• CAS Number: 17865-85-9
• MDL Number: MFCD02683561
• PubChem SID: 162242013; 24874582
• PubChem CID: 519486

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 3.708
• LogD (pH = 7.4): 3.708
• Log P: 3.708
• Molar Refractivity: 58.8048 cm^3
• Polarizability: 44.470367 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 0
• 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): C8H24O12Si8

DETAILS

Sigma Aldrich - 526835

Packaging
5, 25 g in glass bottle