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

CAS: 55145-45-4 Cat. No.: I170944 분자식: C₁₂H₂₄O₂Si 분자량: 228.4 EC 번호: 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

동의어

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)

사양 및 순도

≥95%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥95%

이름과 식별자

Pubchem Sid

528759795

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

분자량

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
    • 분류 Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 발화점(°F): >230 °F
• 발화점(°C): >110 °C
• 끓는점(°C): 85°C/1mmHg
• 분자량: 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