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

CAS: 55145-45-4 Cat. No.: I170944 Formule: C₁₂H₂₄O₂Si Poids moléculaire: 228.4 Numéro 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

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)

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528759795

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759795

Sourires canoniques

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

Isomères SMILES

CC(C)(C)[Si](C)(C)OC1CCC(=O)CC1

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 85°C/1mmHg
• Poids moléculaire: 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

XLogP3