Tert-butyl(2-iodoethoxy)diphenylsilane - ≥98% , CAS No.126822-71-7

CAS: 126822-71-7 Cat. No.: T1027479 Número EC: 969-616-3 PubChem CID: 11269862

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCI
• IUPAC Name: tert-butyl-(2-iodoethoxy)-diphenylsilane
• InChIKey: XRGRXPFJGNTEAB-UHFFFAOYSA-N
• INCHI: 1S/C18H23IOSi/c1-18(2,3)21(20-15-14-19,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
• Isómeros SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCI
• CAS alternativo: 126822-71-7
• PubChem CID: 11269862

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Benzene and substituted derivatives Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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

Propiedades químicas y físicas

• Peso molecular: 410.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 410.056 Da
• Monoisotopic Mass: 410.056 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 283.000
• 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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