Methylcyclohexane

CAS 108-87-2  ·  C7H14  ·  MW 98.19 g/mol

Full record: Methylcyclohexane — Safety Data Sheet →

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3D model Methylcyclohexane, CAS 108-87-2, molecular formula C7H14, molar mass 98.19 g/mol

Model views

  • Methylcyclohexane (CAS 108-87-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Methylcyclohexane (CAS 108-87-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Methylcyclohexane (CAS 108-87-2) – 2D structure, MolGod Viewer
    2D structure

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Methylcyclohexane (CAS 108-87-2), C7H14 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

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About Methylcyclohexane

Methylcyclohexane is a chemical compound registered under number CAS 108-87-2, with the molecular formula C7H14, and a molar mass of 98.19 g/mol.

The molecule contains 21 atoms connected by 21 chemical bonds. The full systematic IUPAC name of this compound is methylcyclohexane. 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 = 3.6 (positive value, a lipophilic compound), polar surface area PSA = 0 Ų, 0 donors and 0 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 formulaC7H14
Molar mass98.19 g/mol
IUPACmethylcyclohexane
SMILESCC1CCCCC1
InChIKeyUAEPNZWRGJTJPN-UHFFFAOYSA-N
logP (XLogP3)3.6
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 7962 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H225 — Highly flammable liquid and vapour

H304 — May be fatal if swallowed and enters airways

H336 — May cause drowsiness or dizziness

H315 — Causes skin irritation

H411 — Toxic to aquatic life with long lasting effects

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

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

Synonyms
METHYLCYCLOHEXANE · 108-87-2 · Hexahydrotoluene · Cyclohexylmethane · Cyclohexane, methyl- · Toluene hexahydride · Sextone B · Hexahydroxytoluene · Toluene, hexahydro- · Metylocykloheksan · H5WXT3SV31 · NSC-9391 · DTXCID4027733 · CHEBI:165745 · RefChem:6030
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Methylcyclohexane · 108-87-2
InChIKey
UAEPNZWRGJTJPN-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Methylcyclohexane (CAS 108-87-2)
License & provenance record
Methylcyclohexane (CAS 108-87-2) →
MolGod molecule record
Methylcyclohexane →
Source data
PubChem CID 7962 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
b8ca3a5bc2c9814000d39e08a67ea96b47b1f4909a2beb91dac6424c7e3c67c8
MD5 (STL)
7d88507522fdc8316c2583d7792a4e94
MolGod Identification Number
MG_233-720-224-46
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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