For each compound, provide a name if the structure is given, or provide a structure if the name is given. (a) octanal (b) CCCC=O (c) CCCC(=O)CCC

Short Answer

Expert verified
Octanal is an aldehyde with an 8-carbon chain; butanal is the compound with the structure for the SMILES notation 'CCCC=O'; heptan-4-one is the name of the compound for the SMILES notation 'CCCC(=O)CCC'.

Step by step solution

01

Naming the compound for (a) octanal

Octanal is an aldehyde with an 8-carbon chain. 'Oct-' indicates the number of carbons, which is 8, and '-anal' denotes that the compound is an aldehyde with the carbonyl group at the end of the carbon chain.
02

Drawing the structure for (b) CCCC=O

The SMILES notation 'CCCC=O' represents a compound with a 4-carbon chain and a carbonyl group at the end, signifying an aldehyde. The first four Cs stand for a butyl chain and '=O' is the aldehyde group, hence the compound is butanal.
03

Naming the compound for (c) CCCC(=O)CCC

The SMILES notation 'CCCC(=O)CCC' indicates a 7-carbon chain with a carbonyl group not at the end but within the chain. This structure represents a ketone because the carbonyl group is flanked by carbon atoms on both sides. With the ketone located at the fourth carbon, the compound is named heptan-4-one.

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Key Concepts

These are the key concepts you need to understand to accurately answer the question.

Naming Aldehydes
Understanding how to name aldehydes is crucial in organic chemistry. An aldehyde is characterized by a carbonyl group (a carbon double-bonded to an oxygen) located at the end of the carbon chain. When naming an aldehyde, we use the suffix '-al'. The first part of the name comes from counting the number of carbons in the longest chain; for instance, an eight-carbon chain is named using the prefix 'oct-'. Therefore, when combined, a straight-chain aldehyde with eight carbons is named octanal.

The process is relatively straightforward for simple aldehydes, but can become more complex with the presence of substituents or multiple functional groups, where additional rules for naming must be considered.
Interpreting SMILES Notation
The SMILES (Simplified Molecular Input Line Entry System) notation is an efficient way to represent a molecular structure using ASCII strings. Each atom is represented by its chemical symbol; single bonds are understood implicitly, double bonds are indicated with an '=', and other aspects of structure are detailed through parentheses and other indicators.

For example, 'CCCC=O' in SMILES translates to a molecule with a four-carbon chain ending with an aldehyde group, known as butanal. This textual representation allows for rapid and unambiguous communication of molecules in digital formats, opening the door to a plethora of computational chemistry applications.
Naming Ketones
When it comes to naming ketones, the rules are a bit different from aldehydes. Ketones feature a carbonyl group (C=O) within the carbon chain rather than at the end. In IUPAC nomenclature, ketones are named by identifying the longest carbon chain, using the appropriate alkane name, and changing the '-e' to '-one'. Additionally, the position of the keto group is indicated by numbering the carbon atoms in the chain such that the keto group receives the lowest possible number.

For example, 'CCCC(=O)CCC' is interpreted as a seven-carbon chain with the keto group on the fourth carbon, thus named heptan-4-one. If there are multiple ketone groups or other substituents, further numbering and naming rules must be applied.
Organic Compound Structures
The structures of organic compounds are diverse and complex. They are made up of carbon chains and associated functional groups, which determine their physical and chemical properties. Their structures can be linear, branched, or ring-shaped. It's essential for chemists to depict these structures accurately for the purpose of communication and understanding chemical reactivity.

Visual representations use various types of lines to show bonding and 3D structure, such as solid lines for bonds lying in the plane of the paper, wedges for bonds projecting out of the plane, and dashes for bonds extending behind the plane. In addition to structural formulas, molecular models and computational descriptions like SMILES notation all play important roles in understanding and conveying the intricate reality of organic molecules.

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