3-{2-[2-(2-Iodoethoxy)-ethoxy]-ethoxy}-propyne , CAS No.1234387-35-9

CAS: 1234387-35-9 Cat. No.: I1228394 Formula: C₉H₁₅IO₃ Peso molecolare: 298.12

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C#CCOCCOCCOCCI

IUPAC Name

3-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]prop-1-yne

InChIKey

TWYZCBYPDKEJJP-UHFFFAOYSA-N

INCHI

1S/C9H15IO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1H,3-9H2

Peso molecolare

298.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Haloacetylenes and derivatives Acetylides Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Haloacetylene or derivatives - Acetylide - Dialkyl ether - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 298.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 298.007 Da
• Monoisotopic Mass: 298.007 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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