Hexane

Hexane

CAS 110-54-3  ·  C6H14  ·  MW 86.18 g/mol

Hexane (CAS 110-54-3) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Hexane, CAS 110-54-3, molecular formula C6H14, molar mass 86.18 g/mol

Model views

  • Hexane (CAS 110-54-3) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Hexane (CAS 110-54-3) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Hexane (CAS 110-54-3) – 2D structure, MolGod Viewer
    2D structure

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Hexane (CAS 110-54-3), C6H14 - 3D ball-and-stick molecular model, engraved element symbols (C H), MolGod STL previewDownload image

MG_192-324-601-46 · engraved · 210,644 △ · 10 MB · SHA-256 aeb07a9fe0a04dca

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Hexane (CAS 110-54-3), C6H14 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Download 3D model: Hexane, C6H14, CAS 110-54-3 · NORMAL · 402 KB

License & provenance ↓

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About Hexane

Hexane is a chemical compound registered under number CAS 110-54-3, with the molecular formula C6H14, and a molar mass of 86.18 g/mol.

The molecule contains 20 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is hexane. 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 = 3.9 (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 formulaC6H14
Molar mass86.18 g/mol
IUPAChexane
SMILESCCCCCC
InChIKeyVLKZOEOYAKHREP-UHFFFAOYSA-N
logP (XLogP3)3.9
PSA0 Ų
HBD / HBA0 / 0
PubChem CIDCID 8058 ↗
GHS safety

Signal word: Danger

GHS02
GHS02
GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H225 — Highly flammable liquid and vapour

? — H361f — Suspected of damaging fertility

H304 — May be fatal if swallowed and enters airways

H336 — May cause drowsiness or dizziness

H372 — Causes damage to organs through prolonged or repeated exposure

H315 — Causes skin irritation

H411 — Toxic to aquatic life with long lasting effects

Scientific literature

Related literature

20 articles · 16 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 20)

2008: number of articles 220082022: number of articles 12023: number of articles 12024: number of articles 220242025: number of articles 52026: number of articles 92026

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
HEXANE · n-Hexane · 110-54-3 · Skellysolve B · Esani · Gettysolve-B · Hexyl hydride · Dipropyl · Hexanen · Heksan · normal-hexane · NCI-C60571 · 2DDG612ED8 · CHEBI:29021 · NSC-68472
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Hexane · 110-54-3
InChIKey
VLKZOEOYAKHREP-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Hexane (CAS 110-54-3)
License & provenance record
Hexane (CAS 110-54-3) →
MolGod molecule record
Hexane →
Source data
PubChem CID 8058 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
a31badda8655a2dba8b16e2a1d9b5a1a78a6a58837ef652c4524a47147806624
MD5 (STL)
6e1a5a01f6c6b1ef861e38114a4908bd
MolGod Identification Number
MG_192-324-601-46
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277584) · NIH 3D (3DPX-023729) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 8058)
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