1-Butoxy-3-methylbutane
TL;DR: 1-Butoxy-3-methylbutane (CAS 17071-52-2) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-3-methylbutane
Also Known As: 1-Butoxy-3-methylbutane, Butylisopentyl ether, Isoamyl butylate, Ether, butyl isopentyl, Butyl isopentyl ether
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 17071-52-2 |
|---|---|
| SMILES | CCCCOCCC(C)C |
| InChIKey | NMLLTHLOSVNFMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butoxy-3-methylbutane (CAS 17071-52-2), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 1-butoxy-3-methylbutane.
Chemical Property Profile of 1-Butoxy-3-methylbutane
Property Insights of 1-Butoxy-3-methylbutane
The XLogP value of 3.0 indicates that 1-Butoxy-3-methylbutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Butoxy-3-methylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-3-methylbutane 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 1-Butoxy-3-methylbutane?
The CAS number of 1-Butoxy-3-methylbutane is 17071-52-2.
What is the molecular formula of 1-Butoxy-3-methylbutane?
The molecular formula of 1-Butoxy-3-methylbutane is C9H20O.
What is the molecular weight of 1-Butoxy-3-methylbutane?
The molecular weight of 1-Butoxy-3-methylbutane is 144.15 g/mol.
Where can I buy 1-Butoxy-3-methylbutane?
You can request a quote for 1-Butoxy-3-methylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-3-methylbutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-3-methylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.