2-[2-(2-Pentoxyethoxy)ethoxy]ethanol , CAS No.25961-91-5

CAS: 25961-91-5 Cat. No.: P1286348 Summenformel: C₁₁H₂₄O₄ Molekulargewicht: 220.31 PubChem CID: 526883

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Kanonisches Lächeln: CCCCCOCCOCCOCCO
• IUPAC Name: 2-[2-(2-pentoxyethoxy)ethoxy]ethanol
• InChIKey: PLLUGRGSPQYBKB-UHFFFAOYSA-N
• INCHI: 1S/C11H24O4/c1-2-3-4-6-13-8-10-15-11-9-14-7-5-12/h12H,2-11H2,1H3
• Isomere SMILES: CCCCCOCCOCCOCCO
• PubChem CID: 526883
• Molekulargewicht: 220.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers
        • Ebene5 Dialkyl ethers
          • Ebene6 Polyethylene glycols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Dialkyl ethers
• Direct Parent: Polyethylene glycols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polyethylene glycol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 220.310 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 220.167 Da
• Monoisotopic Mass: 220.167 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 109.000
• 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