3-Ethyl-2-methylpentane - ≥99%(GC) , CAS No.609-26-7

CAS: 609-26-7 Cat. No.: E156245 分子式: C₈H₁₈ 分子量: 114.23 Beilstein Registry Number: 1(4)437 EC番号: 210-187-2

GRADE & PURITY ≥99%(GC)

Synonyms

Q2816008 | EINECS 210-187-2 | 2-METHYL-3-ETHYLPENTANE | DUPUVYJQZSLSJB-UHFFFAOYSA- | DUPUVYJQZSLSJB-UHFFFAOYSA-N | NSC 73955 | DTXSID40880424 | T72698 | LMFA11000627 | NSC73955 | NSC-73955 | 3-Ethyl-2-methylpentan | 3-Ethyl-2-methylpentane | 3-ethyl-2-met

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

Q2816008 | EINECS 210-187-2 | 2-METHYL-3-ETHYLPENTANE | DUPUVYJQZSLSJB-UHFFFAOYSA- | DUPUVYJQZSLSJB-UHFFFAOYSA-N | NSC 73955 | DTXSID40880424 | T72698 | LMFA11000627 | NSC73955 | NSC-73955 | 3-Ethyl-2-methylpentan | 3-Ethyl-2-methylpentane | 3-ethyl-2-met

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥99%(GC)

名前と識別子

• パブケム・シド: 528758342
• カノニカル・スマイル: CCC(CC)C(C)C
• IUPAC Name: 3-ethyl-2-methylpentane
• InChIKey: DUPUVYJQZSLSJB-UHFFFAOYSA-N
• INCHI: 1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3
• 異性体SMILES: CCC(CC)C(C)C
• 分子量: 114.23
• Beilstein: 1(4)437
• Reaxy-Rn: 1696870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• External Descriptors: Hydrocarbons

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）: 3°C(lit.)
• 沸点（°C）: 116°C
• 分子量: 114.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 42.000
• 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