1-Hexanol

CAS 111-27-3  ·  C6H14O  ·  MW 102.17 g/mol

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3D model 1-Hexanol, CAS 111-27-3, molecular formula C6H14O, molar mass 102.17 g/mol
About 1-Hexanol

1-Hexanol is a chemical compound registered under number CAS 111-27-3, with the molecular formula C6H14O, and a molar mass of 102.17 g/mol.

The molecule contains 21 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is hexan-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 = 2 (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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC6H14O
Masa molowa102.17 g/mol
IUPAChexan-1-ol
SMILESCCCCCCO
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N
logP (XLogP3)2
PSA20.2 Ų
HBD / HBA1 / 1
PubChem CIDCID 8103 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
1-Hexanol · 111-27-3
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
1-Hexanol (CAS 111-27-3) →
MolGod molecule record
1-Hexanol →
Source data
PubChem CID 8103 ↗
SHA-256 (STL)
1af5778381b260c03a4814554a911983774cadb951fe05c2941dd07e6f662e1e
Wikimedia Commons
not published yet
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