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Encyclopedia > Structural formula

The structural formula of a chemical compound is a graphical representation of the molecular structure showing how the atoms are arranged. The chemical bonding within the molecule is also shown, either explicitly or implicitly. There are three common representations used in publications, condensed, Lewis type and line-angle formulae. There are also several formats used for structural representation in chemical databases, such as SMILES, InChI and CML. A chemical compound is a chemical substance consisting of two or more different chemically bonded chemical elements, with a fixed ratio determining the composition. ... In chemistry, a chemical bond is the force which holds together atoms in molecules or crystals. ... G. N. Lewis Lewis structures, also called electron-dot structures or electron-dot diagrams, are diagrams that show the bonding between atoms of a molecule, and the lone pairs of electrons that may exist in the molecule. ... To meet Wikipedias content policies, the external links section for this article may require cleanup. ... A natural smile without teeth showing A natural smile with teeth showing In physiology, a smile is a facial expression formed by flexing muscles most notably near both ends of the mouth, but also around the eyes. ... InChI is the IUPACs International Chemical Identifier. ... CML (Chemical Markup Language) is a new approach to manage molecular information using tools such as XML and Java. ...


Unlike molecular formulae or chemical names, structural formulae provide a very powerful representation of the molecular structure. Chemists nearly always describe a chemical reaction or synthesis using structural formulae rather than chemical names, because the structural formulae allow the chemist to visualize the changes that occur. IUPAC nomenclature is a systematic way of naming organic chemical compounds. ... Vapours of hydrogen chloride in a beaker and ammonia in a test tube meet to form a cloud of a new substance, ammonium chloride A chemical reaction is a process that results in the interconversion of chemical substances. ... In chemistry, chemical synthesis is purposeful execution of chemical reactions in order to get a product, or several products. ...

n-butane
Isobutane

Many chemical compounds can exist in different isomeric forms which have different structures yet the same overall chemical formula. A structural formula indicates the arrangements of atoms in a way that a chemical formula cannot. A simple example of this may be seen with the hydrocarbon butane, which has the molecular formula C4H10. The four carbons may be arranged in a linear pattern, or in a branched, "T" pattern. The first arrangement is known as orthobutane or n-butane, while the second is isobutane. Their structural formulae are shown at right: Image File history File links Structural formulae of butane File history Legend: (cur) = this is the current file, (del) = delete this old version, (rev) = revert to this old version. ... Image File history File links Structural formulae of butane File history Legend: (cur) = this is the current file, (del) = delete this old version, (rev) = revert to this old version. ... Image File history File links Structural formulae of isobutane File history Legend: (cur) = this is the current file, (del) = delete this old version, (rev) = revert to this old version. ... Image File history File links Structural formulae of isobutane File history Legend: (cur) = this is the current file, (del) = delete this old version, (rev) = revert to this old version. ... A chemical compound is a chemical substance consisting of two or more different chemically bonded chemical elements, with a fixed ratio determining the composition. ... In chemistry, isomers are molecules with the same chemical formula and often with the same kinds of bonds between atoms, but in which the atoms are arranged differently. ... This article does not cite its references or sources. ... This article does not cite its references or sources. ... Oil refineries are key to obtaining hydrocarbons; crude oil is processed through several stages to form desirable hydrocarbons, used in fuel and other commercial products. ... Butane, also called n-butane, is the unbranched alkane with four carbon atoms, CH3CH2CH2CH3. ... A chemical formula (also called molecular formula) is a concise way of expressing information about the atoms that constitute a particular chemical compound. ... Butane is an alkane hydrocarbon with the molecular formula C4H10. ...

Contents

Common types of structural formula

There are three main types of structural formula in widespread use in the chemical literature.[1]


Condensed formulae

In early organic chemistry publications, where use of graphics was severely limited, a text-based system arose to describe organic structures in a line of text. Although this system tends to break down with complex cyclic compounds such as strychnine, it remains a convenient way to represent simple structures such as ethanol (CH3CH2OH) in email and HTML. Strychnine (pronounced (British) or (U.S.)) is a very toxic (LD50 = 10 mg approx. ... Grain alcohol redirects here. ... HTML, short for Hypertext Markup Language, is the predominant markup language for the creation of web pages. ...


Skeletal formulae

Note that for organic compounds, line drawings of structural formula are assumed to have carbon atoms at the vertices and termini of all line segments not marked with the atomic symbol of an element (other than carbon). Each carbon atom is in turn assumed to bear enough hydrogen atoms to give the carbon atom four bonds. Equivalent full and abbreviated forms are shown in the adjacent figures. Benzene is the simplest of the arenes, a family of organic compounds An organic compound is any member of a large class of chemical compounds whose molecules contain carbon and hydrogen; therefore, carbides, carbonates, carbon oxides and elementary carbon are not organic (see below for more on the definition controversy... A skeletal formula is a three-dimensional model of the molecule that demonstrates the molecular shape, including bond angles. ...


A chemical structure can be precisely, uniquely and unambiguously described using IUPAC nomenclature. In the case of isobutane, the IUPAC systematic name is methylpropane. IUPAC nomenclature is a system of naming chemical compounds and of describing the science of chemistry in general. ...


Multiple planes

When substituents of a molecule exist in different planes, their position can be described using solid and dotted wedges, with the former showing a substituent coming out of the plane, and the latter going into it. This system is useful in describing differences between chiral molecules. Two intersecting planes in three-dimensional space In mathematics, a plane is a two-dimensional manifold or surface that is perfectly flat. ... The term chiral (pronounced ) is used to describe an object which is non-superimposable on its mirror image. ...


References

  1. ^ Wade, L. G. Organic Chemistry, 4th ed., p 17-20, Prentic Hall, Upper Saddle River, New Jersey, 1999. [ISBN 0-13-922741-5].

External links

  • Structural formulae
  • Structural formulae

  Results from FactBites:
 
formula, in chemistry. The Columbia Encyclopedia, Sixth Edition. 2001-05 (871 words)
Formulas of compounds are used in writing the equations (see chemical equations) that represent chemical reactions.
Structural formulas are often simplified so that they can be written on a single line; the simplified formulas are often called semistructural formulas.
The semistructural formula for dimethyl ether may be written CH Here the O is placed between the two carbon atoms to show that the carbons are bonded to the oxygen.
Representing Organic Compounds: Structural Formulas. (1233 words)
Because of the complexity of the structure of many organic compounds, as well as the importance of structure in organic chemistry, the development of shorthand methods for representing the structures of organic compounds has been almost mandatory in order to allow the drawing of structures in a reasonable amount of space and time.
The different representations of tributylcarbinol found in organic chemistry are the complete structural formula (a), the connectivity formula (b), the line formula (c), and the condensed structural formula (d).
The molecular formula of this compound is C
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