二异戊基醚
TL;DR: 二异戊基醚 (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.
二异戊基醚
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
二异戊基醚 (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 二异戊基醚
Property Insights of 二异戊基醚
The XLogP value of 3.5 indicates that 二异戊基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 二异戊基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二异戊基醚 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 二异戊基醚?
The CAS number of 二异戊基醚 is 544-01-4.
What is the molecular formula of 二异戊基醚?
The molecular formula of 二异戊基醚 is C10H22O.
What is the molecular weight of 二异戊基醚?
The molecular weight of 二异戊基醚 is 158.17 g/mol.
Where can I buy 二异戊基醚?
You can request a quote for 二异戊基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二异戊基醚?
Yes, KEHONG BIO provides custom synthesis services for 二异戊基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.