4-(trans-4-Ethylcyclohexyl)cyclohexanone - ≥98% , CAS No.150763-46-5

CAS: 150763-46-5 Cat. No.: T162033 Fórmula: C₁₄H₂₄O Peso molecular: 208.35 Número CE: 899-351-8

GRAU & PUREZA ≥98%

Synonyms

4-(4-ethylcyclohexyl)cyclohexan-1-one | AKOS015909795 | (1'S,4'R)-4'-ETHYL-[1,1'-BI(CYCLOHEXANE)]-4-ONE | [1,1'-Bicyclohexyl]-4-one, 4'-ethyl- | SB66755 | J-525017 | UNII-X0Q6N9USOZ | SCHEMBL6659962 | AMY28697 | A809070 | NSC 758914 | 4-(4-Ethylcyclohexyl

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

4-(4-ethylcyclohexyl)cyclohexan-1-one | AKOS015909795 | (1'S,4'R)-4'-ETHYL-[1,1'-BI(CYCLOHEXANE)]-4-ONE | [1,1'-Bicyclohexyl]-4-one, 4'-ethyl- | SB66755 | J-525017 | UNII-X0Q6N9USOZ | SCHEMBL6659962 | AMY28697 | A809070 | NSC 758914 | 4-(4-Ethylcyclohexyl

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508809283

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809283

Sorrisos canónicos

CCC1CCC(CC1)C2CCC(=O)CC2

IUPAC Name

4-(4-ethylcyclohexyl)cyclohexan-1-one

InChIKey

ICCIOWLZPJIEBA-UHFFFAOYSA-N

INCHI

1S/C14H24O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h11-13H,2-10H2,1H3

SMILES isoméricas

CCC1CCC(CC1)C2CCC(=O)CC2

Peso molecular

208.35

Reaxy-Rn

36427445

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36427445&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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

• Índice de refração: 1.49
• Ponto de inflamação (°C): 127 °C
• Peso molecular: 208.340 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.183 Da
• Monoisotopic Mass: 208.183 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• 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