Benzyl-PEG4-THP , CAS No.1027926-86-8

CAS: 1027926-86-8 Cat. No.: B947078 Fórmula: C₂₀H₃₂O₆ Peso molecular: 368.46 PubChem CID: 10595213

Storage

Room temperature

Specifications

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: C1CCOC(C1)OCCOCCOCCOCCOCC2=CC=CC=C2
• IUPAC Name: 2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]oxane
• InChIKey: KNXMANKMVQASTE-UHFFFAOYSA-N
• INCHI: 1S/C20H32O6/c1-2-6-19(7-3-1)18-24-15-14-22-11-10-21-12-13-23-16-17-26-20-8-4-5-9-25-20/h1-3,6-7,20H,4-5,8-18H2
• SMILES isoméricas: C1CCOC(C1)OCCOCCOCCOCCOCC2=CC=CC=C2
• PubChem CID: 10595213
• Peso molecular: 368.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Oxanes Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Oxane - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Propriedades químicas e físicas

• Peso molecular: 368.500 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 368.22 Da
• Monoisotopic Mass: 368.22 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1