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

CAS: 117923-32-7 Cat. No.: T162028 Formule: C₁₇H₃₀O Poids moléculaire: 250.43 PubChem CID: 14495772

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488198675

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCCC1CCC(CC1)CCC2CCC(=O)CC2

PubChem CID

14495772

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°C): 143 °C
• Point de fusion (°C): 36 °C
• Poids moléculaire: 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