Diisopentyl ether
TL;DR: Diisopentyl ether (CAS 544-01-4) is a chemical compound with molecular formula C10H22O and molecular weight 158.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(3-methylbutoxy)butane
Also Known As: Diisopentyl ether, Isoamyl ether, Diisoamyl ether, Isopentyl ether, Isoamyl oxide
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 66.0 |
| Boiling Point | 172.5 °C |
| Density | 0.7777 @ 12 °C |
| Solubility | MISCIBLE WITH ALCOHOL, CHLOROFORM, ETHER |
| Vapor Pressure | 1.4 [mmHg] |
| Refractive Index | 1.4085 @ 20 °C |
Chemical Identifiers
| CAS Number | 544-01-4 |
|---|---|
| SMILES | CC(C)CCOCCC(C)C |
| InChIKey | AQZGPSLYZOOYQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopentyl ether (CAS 544-01-4), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 3-methyl-1-(3-methylbutoxy)butane.
Chemical Property Profile of Diisopentyl ether
Property Insights of Diisopentyl ether
The XLogP value of 3.5 indicates that Diisopentyl 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, Diisopentyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopentyl 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 Diisopentyl ether?
The CAS number of Diisopentyl ether is 544-01-4.
What is the molecular formula of Diisopentyl ether?
The molecular formula of Diisopentyl ether is C10H22O.
What is the molecular weight of Diisopentyl ether?
The molecular weight of Diisopentyl ether is 158.17 g/mol.
Where can I buy Diisopentyl ether?
You can request a quote for Diisopentyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopentyl ether?
Yes, KEHONG BIO provides custom synthesis services for Diisopentyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.