CAS 133352-30-4

4-Oxepanol, 3-(bromomethyl)-5-chloro-7-(1-chloro-3-hexen-5-ynyl)-2-ethyl-

Description:

4-Oxepanol, 3-(bromomethyl)-5-chloro-7-(1-chloro-3-hexen-5-ynyl)-2-ethyl- is a complex organic compound characterized by its unique structural features, including a cyclic ether (oxepanol) and multiple halogen substituents. The presence of bromine and chlorine atoms indicates potential reactivity and influences its physical properties, such as boiling and melting points. The compound contains a long carbon chain, which may contribute to its hydrophobic characteristics, while the oxepanol ring suggests some degree of polarity. Its structure may allow for various functional group interactions, making it of interest in synthetic organic chemistry and potentially in medicinal chemistry. The compound's specific reactivity, stability, and applications would depend on its molecular interactions and the presence of the halogen substituents, which can affect its behavior in different chemical environments. As with many halogenated compounds, considerations regarding environmental impact and toxicity are essential for its handling and application.

Formula: C₁₅H₂₁BrCl₂O₂

InChI: InChI=1S/C15H21BrCl2O2/c1-3-5-6-7-11(17)14-8-12(18)15(19)10(9-16)13(4-2)20-14/h1,5-6,10-15,19H,4,7-9H2,2H3

InChI key: InChIKey=MFEVKEHDTZDLJG-UHFFFAOYSA-N

SMILES: C(C)C1C(CBr)C(O)C(Cl)CC(C(CC=CC#C)Cl)O1

Synonyms:

• Rogiolenyne B
• (-)-Rogiolenyne B
• 4-Oxepanol, 3-(bromomethyl)-5-chloro-7-(1-chloro-3-hexen-5-ynyl)-2-ethyl-

4-Oxepanol, 3-(bromomethyl)-5-chloro-7-(1-chloro-3-hexen-5-ynyl)-2-ethyl- (9CI)

CAS: 133352-30-4

Formula: C₁₅H₂₁BrCl₂O₂

Molecular weight: 384.136

Ref: IN-DA0014QO