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CAS 100572-41-6

:

rel-(1R,7S)-4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane

Description:
Rel-(1R,7S)-4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane is a bicyclic organic compound characterized by its unique trioxabicyclo structure, which includes three oxygen atoms incorporated into the bicyclic framework. This compound features two methyl groups at the 4-position, contributing to its steric and electronic properties. The stereochemistry, indicated by the (1R,7S) configuration, suggests specific spatial arrangements of the atoms, which can influence its reactivity and interactions with other molecules. The presence of multiple oxygen atoms in the structure typically enhances solubility in polar solvents and may impart interesting chemical reactivity, such as potential for hydrogen bonding or participation in oxidation-reduction reactions. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential applications in drug design or as a building block for more complex organic synthesis. However, specific biological activity and practical applications would require further investigation and characterization.
Formula:C7H12O3
InChI:InChI=1/C7H12O3/c1-7(2)8-3-5-6(10-5)4-9-7/h5-6H,3-4H2,1-2H3/t5-,6+
InChI key:InChIKey=GEKNCWQQNMEIMS-OLQVQODUNA-N
SMILES:CC1(C)OC[C@]2([C@](O2)(CO1)[H])[H]
Synonyms:
  • rel-(1R,7S)-4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
  • 3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-, (1R,7S)-rel-
  • 3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-, cis-
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