Isophorone 3D Molecular Model — CAS 78-59-1

Isophorone (C9H14O, CAS 78-59-1) — a free educational 3D molecular model for teachers and students, by MolGod.org. Every sphere shows which element it is through an engraved symbol, not a colour code.

Most printable molecule files rely on colour coding, yet the STL format carries no colour and a single-filament print loses it entirely. Each atom of a MolGod model is engraved with its element symbol, turning a plain print into a self-explaining teaching object. The project aims to let a student work out the arrangement of atoms, the bonds and the geometry of the molecule independently, without a colour key and without waiting for the teacher. Teachers get the structure and its atom labels in a single download, which removes the slowest steps before a classroom print. Curious about the science behind the engraving? The project page is at How the engraved atom letters are designed.

Start with the ring system: Isophorone has one 6-membered ring; in total the model carries 24 bonds (22 single and 2 double). Counting task: 9 C + 14 H + 1 O gives 24 engraved spheres; can the class rebuild the formula C9H14O from the model alone? Isomer pair for the classroom: 2,3,4,5-Tetramethyl-2-cyclopentenone (CAS 54458-61-6) shares the formula but not the structure. Spot-the-group challenge: can students find the ketone group (C=O) and the carbon-carbon double bond (C=C)? It makes the carbonyl group (C=O) easier to see.

MolGod.org publishes its molecular models free of charge for teachers and students. Teachers: use the model for an exit-ticket question on the structure the class has just studied.

Free to print and free to bring into any classroom. When you publish a photo, a worksheet or a remix, CC BY-SA 4.0 requires you to credit "MolGod.org" as the author of the model, link to the original and to the licence, indicate any changes and share remixes under the same licence (the ready attribution line is below). You don't need an account, you don't pay anything, and a review is entirely up to you. Your comments decide what we improve next, from engraving depth to which molecules we add. Leave a review below or contact us at Write to the MolGod team. The comment section is open for discussion: how did you introduce this molecule, and what did your students notice first? Your curriculum needs a specific compound? Share the CAS number and we will create the engraved model.

Full record and more free models: Isophorone, CAS 78-59-1: structure, properties and 3D viewer
Licence & provenance: Licence record for this Isophorone model
Same file on Wikimedia Commons: https://commons.wikimedia.org/wiki/File:Isophorone-3D-molecular-model-engraved-CAS-78-59-1.stl
Plain-text record for AI assistants: Isophorone data sheet in plain text for LLMs

A ball-and-stick model of Isophorone with each element symbol recessed into its atom sphere, generated by MolGod.org from a PubChem-computed 3D conformer (not an experimental crystal structure); atomic coordinates and connectivity are unchanged. STL mesh: 278,994 triangles, closed (watertight) single solid. Coordinates in ångström (STL stores no unit) — scale the model deliberately in your slicer.

Names in other languages: Isophoron (de); isoforon (nl); 异佛尔酮 (zh).

Chemical identity

• CAS Registry Number: 78-59-1

• Molecular formula: C9H14O

• Molar mass: 138.21 g/mol (exact mass 138.104465066)

• IUPAC name: 3,5,5-trimethylcyclohex-2-en-1-one

• MolGod ID: MG_131-515-569-18 (Permanent MolGod record MG_131-515-569-18)

• PubChem CID: 6544 (https://pubchem.ncbi.nlm.nih.gov/compound/6544)

• Wikidata: Q415519 (https://www.wikidata.org/wiki/Q415519)

• EC number: 201-126-0

• ChemSpider ID: 6296

• InChIKey: HJOVHMDZYOCNQW-UHFFFAOYSA-N

• SMILES: CC1=CC(=O)CC(C1)(C)C

Required attribution (CC BY-SA 4.0): "Isophorone 3D model by MolGod.org — https://molgod.org/molecule/78-59-1/ — CC BY-SA 4.0"
Licence text: https://creativecommons.org/licenses/by-sa/4.0/