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National Institute of Allergy and Infectious Disease
NIH 3D
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NIH3D

Hexane - engraved ball-and-stick model (CAS 110-54-3)

Created by
MolGod
Created:
10/11/26
Submitted:
10/11/26
Published:
10/11/26
Engraved ball-and-stick STL of Hexane (CAS 110-54-3), PubChem-computed conformer, coordinates in angstrom
hexane-3d-molecular-model-engraved-cas-110-54-3Engraved ball-and-stick STL of Hexane (CAS 110-54-3), PubChem-computed conformer, coordinates in angstrom

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Engraved ball-and-stick STL of Hexane (CAS 110-54-3), PubChem-computed conformer, coordinates in angstrom

Learn more about NIH 3D workflow outputs

3DPX-023729

Licensing:

CC-BY-SA
How to cite this NIH 3D entry
55
4
Version 1

Category

Small Molecules
Small Molecules
Description

This entry presents Hexane (C6H14; CAS 110-54-3; PubChem CID 8058) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged.

Unlike 3DPX-009891, this model is engraved for colour-independent reading in the classroom.

Biological relevance: Hexane, a simple open-chain alkane, is recorded as a male reproductive toxicant (source: Wikidata Q150440, retrieved 2026-10-10).

Structure at a glance

  • 20 atoms: 6 C, 14 H

  • 19 bonds, all single

  • No rings (open-chain structure)

  • No hydrogen-bond donors or acceptors (computed)

  • Every carbon atom is sp3-hybridised (tetrahedral)

Use in teaching

  • Counting task: students tally the engraved symbols (6 C, 14 H; 20 atoms) and rebuild the formula C6H14 from the model alone.

  • Geometry: every carbon is sp3-hybridised, so students can check tetrahedral bond angles at any carbon.

File and printing

STL mesh of 210,644 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 6.841 × 6.599 × 3.57 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 68.4 × 66.0 × 35.7 mm. SHA-256: aeb07a9fe0a04dca91357f12f64d33fe4c256827ecc6b6b430bc9dcdba0a688d.

Validation

  • InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): VLKZOEOYAKHREP-UHFFFAOYSA-N

  • Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem

  • Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file

Source, licence and identifiers

Full record: molgod.org/molecule/110-54-3 · Licence and provenance record: molgod.org/licenses/stl/110-54-3 · Same file on Wikimedia Commons: File:Hexane-3D-molecular-model-engraved-CAS-110-54-3.stl

  • MolGod ID: MG_192-324-601-46

  • EC number: 203-777-6

  • ChemSpider ID: 7767

  • IUPAC name: hexane

  • InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N

  • SMILES: CCCCCC

  • Molar mass 86.18 g/mol (exact mass 86.109550447)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "Hexane 3D model by MolGod.org — https://molgod.org/molecule/110-54-3/ — CC BY-SA 4.0".

Source Data Details
Attribution Instructions
3D Printing Instructions