4-[2-(trans-4-プロピルシクロヘキシル)エチル]シクロヘキサノン - ≥98%以上(GC) , CAS No.117923-32-7

CAS: 117923-32-7 Cat. No.: T162028 分子式: C₁₇H₃₀O 分子量: 250.43 PubChem CID: 14495772

グレード＆純度 ≥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｜OLRTAGESHHXPY-SHTZXODSSA-N｜LS-14612｜4-(2-(trans-4-n-propylcyclohexyl)ethyl)cyclohexanone

Storage

Room temperature

Shipped In

ノーマル

仕様

同義語

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

仕様と純度

≥98%以上(GC)

保管条件

Room temperature

入荷

ノーマル

純度

≥98%(GC)

名前と識別子

パブケム・シド

488198675

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCC1CCC(CC1)CCC2CCC(=O)CC2

PubChem CID

14495772

分子量

250.43

Reaxy-Rn

13244707

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

• 引火点（°C）: 143 °C
• 融点（°C）: 36 °C
• 分子量: 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