1-Ethyl-1-cyclopentene - ≥96% , CAS No.2146-38-5

CAS: 2146-38-5 Cat. No.: E156178 分子式: C₇H₁₂ 分子量: 96.17 Beilstein Registry Number: 5(4)252 EC番号: 679-937-8

GRADE & PURITY ≥95%

Synonyms

NSC 73920 | FT-0693362 | InChI=1/C7H12/c1-2-7-5-3-4-6-7/h5H,2-4,6H2,1H | MFCD00039453 | T72078 | 1-ethylcyclopent-1-ene | 1-Ethylcyclopentene-1 | E0293 | Cyclopentene, 1-ethyl- | UNII-N5HEF75LON | 1-Ethylcyclopentene | 1-Ethyl-1-cyclopentene | 1-Ethyl1-cy

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

同義語

NSC 73920 | FT-0693362 | InChI=1/C7H12/c1-2-7-5-3-4-6-7/h5H,2-4,6H2,1H | MFCD00039453 | T72078 | 1-ethylcyclopent-1-ene | 1-Ethylcyclopentene-1 | E0293 | Cyclopentene, 1-ethyl- | UNII-N5HEF75LON | 1-Ethylcyclopentene | 1-Ethyl-1-cyclopentene | 1-Ethyl1-cy

仕様と純度

≥95%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCC1=CCCC1
• IUPAC Name: 1-ethylcyclopentene
• InChIKey: QYYQTLLGVAPKPN-UHFFFAOYSA-N
• INCHI: 1S/C7H12/c1-2-7-5-3-4-6-7/h5H,2-4,6H2,1H3
• 異性体SMILES: CCC1=CCCC1
• 分子量: 96.17
• Beilstein: 5(4)252
• Reaxy-Rn: 1847628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1847628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Cycloalkenes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Olefin - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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）: -1 °C
• 沸点（°C）: 107°C
• 分子量: 96.170 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 96.0939 Da
• Monoisotopic Mass: 96.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 80.000
• 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