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

CAS: 150763-46-5 Cat. No.: T162033 分子式: C₁₄H₂₄O 分子量: 208.35 EC番号: 899-351-8

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

508809283

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCC1CCC(CC1)C2CCC(=O)CC2

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.49
• 引火点（°C）: 127 °C
• 分子量: 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