4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone - ≥98%(GC) , CAS No.117923-32-7

CAS: 117923-32-7 Cat. No.: T162028 Fórmula: C₁₇H₃₀O Peso molecular: 250.43 PubChem CID: 14495772

GRAU & PUREZA ≥98%(GC)

Synonyms

AS-68399 | FT-0652112 | DTXSID00560997 | 4-{2-[(1S,4R)-4-PROPYLCYCLOHEXYL]ETHYL}CYCLOHEXAN-1-ONE | SB67100 | 4-(2-(trans-4-propylcyclohexyl)ethyl)cyclohexanone | OLRRTAGESHHXPY-SHTZXODSSA-N | LS-14612 | 4-(2-(trans-4-n-propylcyclohexyl)ethyl)cyclohexanone

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

AS-68399 | FT-0652112 | DTXSID00560997 | 4-{2-[(1S,4R)-4-PROPYLCYCLOHEXYL]ETHYL}CYCLOHEXAN-1-ONE | SB67100 | 4-(2-(trans-4-propylcyclohexyl)ethyl)cyclohexanone | OLRRTAGESHHXPY-SHTZXODSSA-N | LS-14612 | 4-(2-(trans-4-n-propylcyclohexyl)ethyl)cyclohexanone

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488198675

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198675

Sorrisos canónicos

CCCC1CCC(CC1)CCC2CCC(=O)CC2

IUPAC Name

4-[2-(4-propylcyclohexyl)ethyl]cyclohexan-1-one

InChIKey

OLRRTAGESHHXPY-UHFFFAOYSA-N

INCHI

1S/C17H30O/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3

SMILES isoméricas

CCCC1CCC(CC1)CCC2CCC(=O)CC2

PubChem CID

14495772

Peso molecular

250.43

Reaxy-Rn

13244707

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

• Ponto de inflamação (°C): 143 °C
• Ponto de fusão (°C): 36 °C
• Peso molecular: 250.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 250.23 Da
• Monoisotopic Mass: 250.23 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 240.000
• 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