Dihexyl ether
TL;DR: Dihexyl ether (CAS 112-58-3) is a chemical compound with molecular formula C12H26O and molecular weight 186.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexoxyhexane
Also Known As: Dihexyl ether, Hexyl ether, dihexylether, N-Hexyl ether, 1-hexoxyhexane
| Molecular Formula | C12H26O |
|---|---|
| Molecular Weight | 186.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 10 |
| Exact Mass | 186.19836 |
| Heavy Atoms | 13 |
| Complexity | 71.0 |
| Vapor Pressure | 0.04 [mmHg] |
Chemical Identifiers
| CAS Number | 112-58-3 |
|---|---|
| SMILES | CCCCCCOCCCCCC |
| InChIKey | BPIUIOXAFBGMNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyl ether (CAS 112-58-3), with molecular formula C12H26O and molecular weight 186.20 g/mol. IUPAC: 1-hexoxyhexane.
Chemical Property Profile of Dihexyl ether
Property Insights of Dihexyl ether
The XLogP value of 4.7 indicates that Dihexyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Dihexyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyl ether has 0 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 Dihexyl ether?
The CAS number of Dihexyl ether is 112-58-3.
What is the molecular formula of Dihexyl ether?
The molecular formula of Dihexyl ether is C12H26O.
What is the molecular weight of Dihexyl ether?
The molecular weight of Dihexyl ether is 186.20 g/mol.
Where can I buy Dihexyl ether?
You can request a quote for Dihexyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl ether?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.