2-Ethylcyclopentanone - ≥97% , CAS No.4971-18-0

CAS: 4971-18-0 Cat. No.: E589260 分子式: C₇H₁₂O 分子量: 112.17 EC番号: 225-612-7

グレード＆純度 ≥97%

Synonyms

FT-0683919 | NSC 105441 | PPTKUTYPOKHBTL-UHFFFAOYSA-N | Z813018310 | 2-Ethylcyclopentanone | SCHEMBL2689519 | 5-Ethylcyclopentanone | EN300-62762 | EINECS 225-612-7 | F8889-4518 | A871740 | AKOS005174693 | 2-Ethylcyclopentan-1-one

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

仕様

同義語

FT-0683919 | NSC 105441 | PPTKUTYPOKHBTL-UHFFFAOYSA-N | Z813018310 | 2-Ethylcyclopentanone | SCHEMBL2689519 | 5-Ethylcyclopentanone | EN300-62762 | EINECS 225-612-7 | F8889-4518 | A871740 | AKOS005174693 | 2-Ethylcyclopentan-1-one

仕様と純度

≥97%

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

528756259

カノニカル・スマイル

CCC1CCCC1=O

IUPAC Name

2-ethylcyclopentan-1-one

InChIKey

PPTKUTYPOKHBTL-UHFFFAOYSA-N

INCHI

1S/C7H12O/c1-2-6-4-3-5-7(6)8/h6H,2-5H2,1H3

異性体SMILES

CCC1CCCC1=O

分子量

112.17

Reaxy-Rn

1853391

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853391&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

• 分子量: 112.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1