3-Hexyn-1-ol

CAS 1002-28-4  ·  C6H10O  ·  MW 98.14 g/mol

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3D model 3-Hexyn-1-ol, CAS 1002-28-4, molecular formula C6H10O, molar mass 98.14 g/mol

Model views

  • 3-Hexyn-1-ol (CAS 1002-28-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 3-Hexyn-1-ol (CAS 1002-28-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • 3-Hexyn-1-ol (CAS 1002-28-4) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • 3-Hexyn-1-ol (CAS 1002-28-4) – 2D structure, MolGod Viewer
    2D structure

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About 3-Hexyn-1-ol

3-Hexyn-1-ol is a chemical compound registered under number CAS 1002-28-4, with the molecular formula C6H10O, and a molar mass of 98.14 g/mol.

The molecule contains 17 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is hex-3-yn-1-ol. 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 = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 20.2 Ų, 1 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
IUPAChex-3-yn-1-ol
SMILESCCC#CCCO
InChIKeyODEHKVYXWLXRRR-UHFFFAOYSA-N
logP (XLogP3)1.1
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 66083 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 1002-28-4 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
3-Hexyn-1-ol · hex-3-yn-1-ol · 3-Hexynol · 3-Hexyne-1-ol · X07KYI4GTH · EINECS 213-685-8 · UNII-X07KYI4GTH · AI3-37258 · RefChem:94039 · DTXCID6032481 · ODEHKVYXWLXRRR-UHFFFAOYSA-N · 1002-28-4 · MFCD00002957 · 3-Hexyn-1-ol, 98% · SCHEMBL487224
Data sources
Related molecules
This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23517161) · Wikimedia Commons
Source structure: PubChem (CID 66083)
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
3-Hexyn-1-ol (CAS 1002-28-4), C6H10O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewDownload image

MG_823-867-898-54 · engraved · 193,778 △ · 9 MB · SHA-256 9db4efc5f9426e2d

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3-Hexyn-1-ol (CAS 1002-28-4), C6H10O - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_823-867-898-54 · normal · 7,168 △ · 350 KB · SHA-256 b2ad34fafe61c63d

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Model
3-Hexyn-1-ol · 1002-28-4
InChIKey
ODEHKVYXWLXRRR-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 3-Hexyn-1-ol (CAS 1002-28-4)
License & provenance record
3-Hexyn-1-ol (CAS 1002-28-4) →
MolGod molecule record
3-Hexyn-1-ol →
Source data
PubChem CID 66083 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
b2ad34fafe61c63d6ad998e9760bbb8c9902d4b7f9372809a8c962f9d779ffeb
MD5 (STL)
87d4e0211a3b544691db6d710a73ec80
MolGod Identification Number
MG_823-867-898-54
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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