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

CAS: 2146-38-5 Cat. No.: E156178 Formule: C₇H₁₂ Poids moléculaire: 96.17 Beilstein Registry Number: 5(4)252 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: CCC1=CCCC1
• Poids moléculaire: 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
    • Classe Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°C): -1 °C
• Point d'ébullition (°C): 107°C
• Poids moléculaire: 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