1-Hexanol
CAS 111-27-3 · C6H14O · MW 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
| Wzór sumaryczny | C6H14O |
| Masa molowa | 102.17 g/mol |
| IUPAC | hexan-1-ol |
| SMILES | CCCCCCO |
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| logP (XLogP3) | 2 |
| PSA | 20.2 Ų |
| HBD / HBA | 1 / 1 |
| PubChem CID | CID 8103 ↗ |
GHS safety
Sygnał: Uwaga
H302 — Działa szkodliwie po połknięciu
Scientific literature
Literatura naukowa
20 artykułów · 8 open access · Źródła: PubMed, OpenAlex, Semantic Scholar
📈 Timeline publikacji (20 artykułów)
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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.
Synonyms
Data sources
- 📊 PubChem CID 8103 — NIH
- 🔬 NIST WebBook — spektroskopia
- 🌐 Wikidata
- 💊 ChEMBL — bioaktywność