2-(Iodomethyl)oxepane - ≥95% , CAS No.130868-43-8

CAS: 130868-43-8 Cat. No.: I1029073 Formula: C₇H₁₃IO Peso molecolare: 240.080 Numero EC: 142-528-5

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1CCC(OCC1)CI

IUPAC Name

2-(iodomethyl)oxepane

InChIKey

GGGYXZYJTQDNEZ-UHFFFAOYSA-N

INCHI

1S/C7H13IO/c8-6-7-4-2-1-3-5-9-7/h7H,1-6H2

Peso molecolare

240.080

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organoiodides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxepane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six 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

Proprietà chimiche e fisiche

• Peso molecolare: 240.080 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 240.001 Da
• Monoisotopic Mass: 240.001 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 75.300
• 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