Dotetracontane - ≥95% , CAS No.7098-20-6

CAS: 7098-20-6 Cat. No.: D347728 分子式: C₄₂H₈₆ 分子量: 591.15 EC番号: 690-184-4

GRADE & PURITY ≥95%

Synonyms

n-Dotetracontane

Storage

Room temperature

Shipped In

Normal

概要

Dotetracontane is a useful analytical standard.

Specifications

同義語

n-Dotetracontane

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• パブケム・シド: 528771039
• カノニカル・スマイル: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: dotetracontane
• InChIKey: FTJPDYTXORWVLU-UHFFFAOYSA-N
• INCHI: 1S/C42H86/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
• 異性体SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• 分子量: 591.15
• Reaxy-Rn: 1714988
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1714988&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: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• 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

• 沸点（°C）: ~536.1° C at 760 mmHg (Predicted)
• 融点（°C）: 83-86° C
• 分子量: 591.100 g/mol
• XLogP3: 22.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 39
• Exact Mass: 590.673 Da
• Monoisotopic Mass: 590.673 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 386.000
• 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