2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-ethenyl- - ≥95% , CAS No.2097-18-9

CAS: 2097-18-9 Cat. No.: T1051671 Molecular Weight: 201.297 PubChem CID: 74984

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C=C[Si]12OCCN(CCO1)CCO2
• IUPAC Name: 1-ethenyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
• InChIKey: JETUZEFHWCTPQD-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO3Si/c1-2-13-10-6-3-9(4-7-11-13)5-8-12-13/h2H,1,3-8H2
• Isomeric SMILES: C=C[Si]12OCCN(CCO1)CCO2
• PubChem CID: 74984
• Molecular Weight: 201.297

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Trialkylamines Oxacyclic compounds Organoheterosilanes Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Trialkoxysilane - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Oxacycle - Organoheterosilane - Organic salt - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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

• Melt Point(°C): 163-165°
• Molecular Weight: 201.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 201.082 Da
• Monoisotopic Mass: 201.082 Da
• Topological Polar Surface Area: 30.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 173.000
• 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

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