octaethenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane

• ChemBase ID: 150816
• Molecular Formular: C16H24O12Si8
• Molecular Mass: 633.03856
• Monoisotopic Mass: 631.94218846
• SMILES: 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)C=C)C=C)C=C)C=C)C=C)C=C
• Canonical SMILES: C=C[Si]12O[Si]3(C=C)O[Si]4(O[Si](O2)(C=C)O[Si]2(O[Si](O1)(C=C)O[Si](O3)(C=C)O[Si](O4)(O2)C=C)C=C)C=C
• InChI: InChI=1S/C16H24O12Si8/c1-9-29-17-30(10-2)20-33(13-5)22-31(11-3,18-29)24-35(15-7)25-32(12-4,19-29)23-34(14-6,21-30)27-36(16-8,26-33)28-35/h9-16H,1-8H2
• InChIKey: ZWCNRMDCQDJIRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octaethenylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• IUPAC Traditional name: octaethenylpentacyclo[9.5.1.1^3,^9.1^5,^1^5.1^7,^1^3]octasiloxane
• Synonyms: 1,3,5,7,9,11,13,15-Octavinylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane; Octavinyloctasilasesquioxane; PSS-Octavinyl substituted; 1,3,5,7,9,11,13,15-八乙烯基五环[9.5.1.13,9.15,15.17,13]八硅氧烷; 八乙烯基八硅倍半氧烷; 八乙烯基-POSS

Database IDs

• CAS Number: 69655-76-1
• MDL Number: MFCD00217613
• Beilstein Number: 2320666
• PubChem SID: 24871126; 162244976
• PubChem CID: 144364

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 7.8632
• LogD (pH = 7.4): 7.8632
• Log P: 7.8632
• Molar Refractivity: 92.0608 cm^3
• Polarizability: 56.87158 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 8
• 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): C16H24O12Si8

DETAILS

Sigma Aldrich - 475424

Packaging
1, 10 g in glass bottle