CAS 77841-36-2

rel-(2R,5S)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one

Description:

Rel-(2R,5S)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one, with the CAS number 77841-36-2, is a chemical compound characterized by its unique spirocyclic structure, which features a combination of a ketone and an ether functional group. This compound exhibits chirality, indicated by its specific stereochemical configuration at the 2R and 5S positions, which can influence its reactivity and interactions in biological systems. The presence of multiple methyl groups contributes to its hydrophobic nature, potentially affecting its solubility in various solvents. Additionally, the spirocyclic framework may impart rigidity to the molecule, influencing its conformational dynamics. Such structural features often play a crucial role in the compound's applications, particularly in fields like organic synthesis and medicinal chemistry, where stereochemistry can significantly impact biological activity. Overall, this compound's distinctive characteristics make it a subject of interest for further research and potential applications in various chemical contexts.

Formula: C₁₃H₂₀O₂

InChI: InChI=1/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3/t10-,13-/s2

InChI key: InChIKey=AXQMCYYCOKLZPP-RLQDDWLSNA-N

SMILES: C[C@@]1(C)[C@@]2(C(C)=CC(=O)C1)O[C@H](C)CC2

Synonyms:

• 1-Oxaspiro[4.5]dec-6-en-8-one, 2,6,10,10-tetramethyl-, cis-(±)-
• 1-Oxaspiro[4.5]dec-6-en-8-one, 2,6,10,10-tetramethyl-, (2R,5S)-rel-
• cis-Theaspirone
• rel-(2R,5S)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one