CAS 1322-70-9

(1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one

Description:

The chemical substance known as (1E)-1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-1-penten-3-one, with the CAS number 1322-70-9, is an organic compound characterized by its complex structure featuring a cyclohexene ring and a pentenone moiety. This compound exhibits a distinctive configuration due to the presence of multiple chiral centers, which contributes to its stereochemistry and potential biological activity. It is typically classified as a ketone due to the presence of a carbonyl group (C=O) within its structure. The compound is likely to be a colorless to pale yellow liquid with a characteristic odor, making it relevant in the fragrance and flavor industry. Its reactivity is influenced by the unsaturation in the pentenone part of the molecule, allowing for various chemical transformations. Additionally, it may exhibit interesting properties such as volatility and solubility in organic solvents, which are important for its applications in synthesis and formulation. Overall, this compound's unique structural features make it a subject of interest in organic chemistry and related fields.

Formula: C₁₄H₂₂O

InChI: InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+/t13-/m0/s1

InChI key: InChIKey=VPKMGDRERYMTJX-XEHSLEBBSA-N

SMILES: C(=C/C(CC)=O)\[C@@H]1C(C)(C)CCC=C1C

Synonyms:

• (+)-α-Methylionone
• 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, [R-(E)]-
• 1-Penten-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)-
• (1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one
• Methyl-α-ionone