Cyclohexanone

CAS 108-94-1  ·  C6H10O  ·  MW 98.14 g/mol

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3D model Cyclohexanone, CAS 108-94-1, molecular formula C6H10O, molar mass 98.14 g/mol

Model views

  • Cyclohexanone (CAS 108-94-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Cyclohexanone (CAS 108-94-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Cyclohexanone (CAS 108-94-1) – 2D structure, MolGod Viewer
    2D structure

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About Cyclohexanone

Cyclohexanone is a chemical compound registered under number CAS 108-94-1, with the molecular formula C6H10O, and a molar mass of 98.14 g/mol.

The molecule contains 17 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is cyclohexanone. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.8 (positive value, a lipophilic compound), polar surface area PSA = 17.1 Ų, 0 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC6H10O
Molar mass98.14 g/mol
IUPACcyclohexanone
SMILESC1CCC(=O)CC1
InChIKeyJHIVVAPYMSGYDF-UHFFFAOYSA-N
logP (XLogP3)0.8
PSA17.1 Ų
HBD / HBA0 / 1
PubChem CIDCID 7967 ↗
GHS safety

Signal word: Warning

GHS02
GHS02
GHS07
GHS07

H226 — Flammable liquid and vapour

H332 — Harmful if inhaled

Scientific literature

Related literature

7 articles · 5 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 7)

1989: number of articles 119891999: number of articles 12020: number of articles 12021: number of articles 120212023: number of articles 12024: number of articles 22024

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
CYCLOHEXANONE · 108-94-1 · Ketohexamethylene · Pimelic ketone · Sextone · Nadone · Anone · Anon · Hytrol O · Cyclohexanon · Hexanon · ketocyclohexane · Pimelin ketone · oxocyclohexane · Cicloesanone
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Cyclohexanone (CAS 108-94-1), C6H10O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG_742-664-243-78 · engraved · 191,118 △ · 9 MB · SHA-256 b7b1624b8936cdcf

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Cyclohexanone (CAS 108-94-1), C6H10O - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_742-664-243-78 · normal · 7,168 △ · 350 KB · SHA-256 504770e0d5fd7b8a

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Model
Cyclohexanone · 108-94-1
InChIKey
JHIVVAPYMSGYDF-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Cyclohexanone (CAS 108-94-1)
License & provenance record
Cyclohexanone (CAS 108-94-1) →
MolGod molecule record
Cyclohexanone →
Source data
PubChem CID 7967 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
504770e0d5fd7b8a3d25e7937cf7e6498ad395d09f46160ef3993ccb08c09eeb
MD5 (STL)
581b0b5aec7f5317fdfad2077c6218b8
MolGod Identification Number
MG_742-664-243-78
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
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Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23838110) · Wikimedia Commons
Included in datasets: OSF project index
Source structure: PubChem (CID 7967)
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