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

CAS: 2146-38-5 Cat. No.: E156178 분자식: C₇H₁₂ 분자량: 96.17 Beilstein Registry Number: 5(4)252 EC 번호: 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

동의어

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

사양 및 순도

≥95%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥95%

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: CCC1=CCCC1
• 분자량: 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
    • 분류 Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 발화점(°C): -1 °C
• 끓는점(°C): 107°C
• 분자량: 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