4-(terc-butildimetilsililoxi)ciclo-hexanona - ≥95% , CAS No.55145-45-4

CAS: 55145-45-4 Cat. No.: I170944 Fórmula: C₁₂H₂₄O₂Si Peso molecular: 228.4 Número CE: 690-953-4

GRADE & PURITY ≥95%

Synonyms

HXKBGMNGSYGPRB-UHFFFAOYSA-N | 4-((tert-Butyldimethylsilyl)oxy)cyclohexanone | 4-(t-Butyldimethylsilyloxy)cyclohexan-1-one | 4-(p-(4-(p-(((3R,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furyl)methoxy)phenyl)-1-piperazinyl)phenyl)

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

HXKBGMNGSYGPRB-UHFFFAOYSA-N | 4-((tert-Butyldimethylsilyl)oxy)cyclohexanone | 4-(t-Butyldimethylsilyloxy)cyclohexan-1-one | 4-(p-(4-(p-(((3R,5R)-5-(2,4-Difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)-3-furyl)methoxy)phenyl)-1-piperazinyl)phenyl)

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528759795
• Sorrisos canónicos: CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
• InChIKey: HXKBGMNGSYGPRB-UHFFFAOYSA-N
• INCHI: 1S/C12H24O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h11H,6-9H2,1-5H3
• SMILES isoméricas: CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1
• WGK Alemanha: 3
• Peso molecular: 228.4
• Reaxy-Rn: 2442893
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2442893&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Classe Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Classe: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Silyl ethers Cyclic ketones Organic metalloid salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Trialkylheterosilane - Cyclic ketone - Silyl ether - Ketone - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Ponto de ebulição (°C): 85°C/1mmHg
• Peso molecular: 228.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.155 Da
• Monoisotopic Mass: 228.155 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 230.000
• 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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