Chemical structure

A chemical structure specifies how chemical atoms are connected and, where relevant, how they are arranged in space. A molecular formula counts atoms; a structural formula supplies connectivity information. Molecular geometry and stereochemistry add spatial distinctions that cannot generally be recovered from the atom inventory alone.^[ref]

For a concrete comparison, ethanol and dimethyl ether both have molecular formula ${\mathrm{C}}_2{\mathrm{H}}_6\mathrm{O}$. Their condensed structural formulas arerespectively. In ethanol, the oxygen is bonded to one carbon and one hydrogen; in dimethyl ether, it is bonded to two carbon atoms. The same atom counts therefore describe different connectivities.

A drawing is a representation of a chemical structure, not necessarily a frozen picture of every atom's position. Rotating around a bond can change a molecule's spatial arrangement while preserving its connectivity. Conversely, two drawings that look different on the page can represent the same chemical structure. Establishing identity requires interpreting bonds and spatial conventions, not comparing the appearance of the diagrams alone.

A structural formula represents how chemical atoms in a molecule are connected. It adds information that a molecular formula alone does not provide. Depending on the notation, bonds and grouped atoms may be drawn explicitly or represented in a condensed structural formula.^[ref]

For ethanol, $\mathrm{C}{\mathrm{H}}_3\mathrm{C}{\mathrm{H}}_2\mathrm{OH}$ can be unpacked as a carbon with three hydrogens, joined to a carbon with two hydrogens, joined to oxygen, joined to hydrogen. Counting the groups recovers ${\mathrm{C}}_2{\mathrm{H}}_6\mathrm{O}$, since $3+2+1=6$. That count is a useful check, but it discards the connectivity information that distinguishes ethanol from dimethyl ether, $\mathrm{C}{\mathrm{H}}_3\mathrm{OC}{\mathrm{H}}_3$.

A structural drawing also needs a clear convention about spatial meaning. A plain line usually represents a chemical bond, rather than a measured length on the page. Rotating the paper does not change the represented molecule. If a drawing is intended to specify a three-dimensional configuration, the additional conventions belong to stereochemistry; a connectivity formula should not silently be treated as complete molecular geometry.

A condensed structural formula writes connected groups of chemical atoms compactly, omitting some explicit bond strokes. It preserves interpretable connectivity information, unlike a molecular formula that merely totals the atoms. It is one way to represent a structural formula, whose purpose is to describe how atoms are connected.^[ref]

For an original counting example,can be unrolled as $\mathrm{C}{\mathrm{H}}_3\mathrm{C}{\mathrm{H}}_2\mathrm{C}{\mathrm{H}}_2\mathrm{C}{\mathrm{H}}_2\mathrm{C}{\mathrm{H}}_2\mathrm{C}{\mathrm{H}}_3$. The two terminal groups supply two carbons and six hydrogens; four interior groups supply four carbons and eight hydrogens. Thus the molecular formula is ${\mathrm{C}}_6{\mathrm{H}}_{14}$, since $2+4=6$ and $6+8=14$. The parentheses abbreviate a connected repeated group, rather than introducing a separately floating molecule.

The compression must be interpreted with the chosen convention. A formula such as $\mathrm{C}{\mathrm{H}}_3\mathrm{C}{\mathrm{H}}_2\mathrm{OH}$ specifies different connectivity from $\mathrm{C}{\mathrm{H}}_3\mathrm{OC}{\mathrm{H}}_3$ despite their common atom counts. Neither expression by itself gives every bond angle or a unique three-dimensional conformation; those questions involve molecular geometry and stereochemistry.