MolDraw › 3D molecule models › Toluene structure
Toluene structure and 3D model (C7H8)
Toluene (methylbenzene) is a benzene ring with one methyl group. The ring is flat and the methyl carbon lies in the ring plane.
Drag to rotate · pinch or scroll to zoom. 3D coordinates: computed with RDKit (ETKDG conformer, force-field optimised).
Toluene at a glance
| Formula | C7H8 |
|---|---|
| Molar mass | 92.14 g/mol |
| IUPAC name | toluene |
| Atoms / bonds | 15 / 15 |
| H-bond donors / acceptors | 0 / 0 |
| logP (estimated) | 2.0 |
| SMILES | CC1=CC=CC=C1 |
| InChIKey | YXFVVABEGXRONW-UHFFFAOYSA-N |
| PubChem | 1140 |
What the 3D model of Toluene shows
The model contains 15 atoms (7 heavy atoms and 8 hydrogens) joined by 15 bonds; in ball-and-stick mode every stick is one bond, and double or aromatic bonds are drawn as multiple sticks. Switch to space-filling to see the molecule as its electron cloud, scaled to van der Waals radii: this is the shape other molecules actually "feel". It can donate 0 and accept 0 hydrogen bonds, and its estimated logP of 2.0 means it is fairly balanced between water and fat. Its topological polar surface area is 0 Ų.
Shape and bond angles
| Atom(s) | Geometry / hybridisation | Angles & lengths |
|---|---|---|
| ring carbons | Trigonal planar, sp²; aromatic ring | 120° |
| methyl carbon | Tetrahedral, sp³ | ≈ 109.5° |
Is Toluene polar?
Only very slightly. The methyl group gives a small dipole of about 0.36 D, but toluene behaves as a non-polar solvent.
Elemental composition of C7H8
| Element | Atoms | Mass (g/mol) | Mass % |
|---|---|---|---|
| Carbon (C) | 7 | 84.077 | 91.25% |
| Hydrogen (H) | 8 | 8.064 | 8.75% |
Calculated from IUPAC standard atomic weights. Check any formula with the molar mass calculator.
Uses of toluene
- Common solvent for paints, glues and inks
- Raw material for TNT, benzoic acid and other chemicals
- Added to petrol to raise octane rating
Interesting facts
- Toluene was first isolated from balsam of Tolu, a tree resin, which gave it its name.
- It is less toxic than benzene, so it has replaced benzene as a solvent in many uses.
- Nitrating toluene three times gives TNT (2,4,6-trinitrotoluene).
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Open MolDraw editorFrequently asked questions
What is the structure of Toluene?
Toluene (methylbenzene) is a benzene ring with one methyl group. The ring is flat and the methyl carbon lies in the ring plane. Its SMILES is CC1=CC=CC=C1.
Is toluene polar or non-polar?
Non-polar. It has a very small dipole and does not mix with water.
What is the difference between toluene and benzene?
Toluene has a CH₃ group in place of one hydrogen on benzene.
What is the chemical formula and molar mass of Toluene?
Toluene is C7H8 with a molar mass of 92.14 g/mol. It contains 15 atoms: 7 carbon, 8 hydrogen.
What is the IUPAC name of Toluene?
The IUPAC name is toluene.
How do I draw Toluene?
Open the MolDraw editor, paste the SMILES CC1=CC=CC=C1 or type "Toluene" in name search, and the structure is drawn for you. You can then export it as PNG, SVG, MOL or CDXML.