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Etonogestrel

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Identification
Molecular formula
C22H28O3
CAS number
54048-10-1
IUPAC name
[(2R,6S)-2-acetoxy-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate
State
State

Solid at room temperature, usually in the form of a stable crystalline powder.

Melting point (Celsius)
180.00
Melting point (Kelvin)
453.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
324.46g/mol
Molar mass
324.4590g/mol
Density
1.2090g/cm3
Appearence

Etonogestrel is typically a white or almost-white crystalline powder. It is visually characterized by its fine texture and homogeneity.

Comment on solubility

Solubility of [(2R,6S)-2-acetoxy-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate

This particular compound exhibits intriguing solubility characteristics, which can significantly affect its application in various fields. Understanding the solubility is crucial for its potential use in pharmaceuticals, organic synthesis, and material science.

  • Polarity: The presence of both ethynyl and acetoxy functional groups introduces an aspect of polarity to the molecule, which can enhance its solubility in polar solvents like water and alcohols.
  • Hydrophobic regions: Conversely, the dodecahydro-dienyl structure suggests that there are significant hydrophobic regions, which may lead to limited solubility in polar media but improved solubility in non-polar solvents.
  • Influencing factors: Factors such as temperature, pH, and solvent choice will greatly influence solubility. Increased temperature generally increases solubility, while changes in pH can alter the ionization state of the functional groups.

In summary, the solubility of this compound is affected by:

  1. Polarity and hydrophobicity
  2. Functional group interactions
  3. The medium of dissolution (solvent choice)

As such, while there may be limited empirical solubility data available, it can be anticipated that experimenting with a range of solvents will yield insightful information regarding the dissolution behavior of this compound.

Interesting facts

Interesting Facts about [(2R,6S)-2-acetoxy-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate

This fascinating compound is an example of a complex organic molecule that showcases the beauty and intricacy of chemical structure. Its layered composition not only makes it a subject of interest in organic chemistry but also has implications in various fields such as pharmacology and materials science.

Key Highlights

  • Stereochemistry: The notation (2R,6S) indicates specific chiral centers, which play a significant role in the compound's biological activity. Chirality can lead to enantiomers that have vastly different effects in biological systems.
  • Functional Groups: Featuring both acetoxy and ethynyl groups, the compound exhibits unique reactivity patterns. The presence of these functional groups is essential for the compound’s potential applications in synthesis and drug development.
  • Structural Complexity: The dodecahydro structure signifies multiple rings and saturated carbon chains, contributing to its stability and reactivity. Such complexity can influence interactions with biological targets.
  • Potential Applications: Due to its structure, this compound may exhibit properties that make it valuable in medicinal chemistry, providing a template for designing novel drugs.
  • Synthetic Pathways: The synthesis of such complex molecules may involve innovative methods in organic synthesis, including multi-step reactions and the use of catalytic systems.

In summary, [(2R,6S)-2-acetoxy-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] acetate is more than just a compound; it is a representation of the sophistication of organic chemistry and the potential advancements in therapeutic applications. As the field continues to evolve, compounds like this will likely play a pivotal role in the discovery of new and efficient solutions in science.