1-Hexen-3-Ol
TL;DR: 1-Hexen-3-Ol (CAS 4798-44-1) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-1-en-3-ol
Also Known As: 1-HEXEN-3-OL, Hex-1-en-3-ol, Propylvinylcarbinol, 1-Vinylbutanol, 3-Hydroxy-1-hexene
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
| Density | 0.830-0.836 |
| Solubility | 25.2 mg/mL at 25 °C |
| Refractive Index | 1.425-1.431 |
Chemical Identifiers
| CAS Number | 4798-44-1 |
|---|---|
| SMILES | CCCC(C=C)O |
| InChIKey | BVOSSZSHBZQJOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexen-3-Ol (CAS 4798-44-1), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: hex-1-en-3-ol.
Chemical Property Profile of 1-Hexen-3-Ol
Property Insights of 1-Hexen-3-Ol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexen-3-Ol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Hexen-3-Ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexen-3-Ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hexen-3-Ol?
The CAS number of 1-Hexen-3-Ol is 4798-44-1.
What is the molecular formula of 1-Hexen-3-Ol?
The molecular formula of 1-Hexen-3-Ol is C6H12O.
What is the molecular weight of 1-Hexen-3-Ol?
The molecular weight of 1-Hexen-3-Ol is 100.09 g/mol.
Where can I buy 1-Hexen-3-Ol?
You can request a quote for 1-Hexen-3-Ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexen-3-Ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexen-3-Ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.