CAS 81800-50-2

4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one

Description:

4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one, with the CAS number 81800-50-2, is an organic compound characterized by its bicyclic structure, which consists of a seven-membered ring system with two fused cyclopropane rings. This compound features a ketone functional group and multiple methyl substituents, contributing to its unique reactivity and physical properties. It is typically a colorless to pale yellow liquid with a distinctive odor, indicative of its potential use in flavor and fragrance applications. The presence of the double bond in the bicyclic framework enhances its reactivity, making it susceptible to various chemical transformations, such as addition reactions. Additionally, its structural features may influence its biological activity, making it of interest in medicinal chemistry and natural product synthesis. As with many organic compounds, handling should be done with care, considering potential health and environmental impacts. Overall, 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one exemplifies the complexity and diversity of organic molecules in chemical research.

Formula: C₁₀H₁₄O

InChI: InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3

InChI key: InChIKey=WDILKLCBAXJFIA-UHFFFAOYSA-N

SMILES: CC1(C)C2C1C(=O)C=C(C)C2

Synonyms:

• Car-3-en-5-one
• 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one
• 3,7,7-Trimethylbicyclo[4.1.0]hept-3-en-5-one
• Bicyclo[4.1.0]hept-3-en-2-one, 4,7,7-trimethyl-