4-(tert-Butyldimethylsilyloxy)cyclohexanone - ≥95% , CAS No.55145-45-4

CAS: 55145-45-4 Cat. No.: I170944 Summenformel: C₁₂H₂₄O₂Si Molekulargewicht: 228.4 EG-Nummer: 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

Synonyme

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)

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528759795
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Organometalloid compounds
      • Subclass Organosilicon compounds
        • Ebene5 Organoheterosilanes
          • Ebene6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 85°C/1mmHg
• Molekulargewicht: 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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