PSS-Octavinyl substituted - ≥95% , CAS No.69655-76-1

CAS: 69655-76-1 Cat. No.: P102212 Molecular Weight: 633.04 Beilstein Registry Number: 2320666 EC Number: 805-719-0

GRADE & PURITY ≥95%

Synonyms

1,3,5,7,9,11,13,15-Octavinylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane | Octavinyloctasilasesquioxane

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3, 5, 7, 9, 11, 13, 15-Octavinylpentacyclo[9.5.1.13, 9.15, 15.17, 13]octasiloxane | Octavinyloctasilasesquioxane

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488188171
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188171
• Canonical Smiles: C=C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)C=C)C=C)C=C)C=C)C=C)C=C)C=C
• IUPAC Name: 1,3,5,7,9,11,13,15-octakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
• InChIKey: ZWCNRMDCQDJIRL-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C=C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)C=C)C=C)C=C)C=C)C=C)C=C)C=C
• WGK Germany: 3
• Molecular Weight: 633.04
• Beilstein: 2320666
• Reaxy-Rn: 2320666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2320666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoheterosilanes
• Alternative Parents: Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as organoheterosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more heteroatoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Specific Rotation[α]: −7±1°, c = 1% in DMF
• Melt Point(°C): >350 °C
• Molecular Weight: 633.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 631.942 Da
• Monoisotopic Mass: 631.942 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 745.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

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