1-(1-Methylpropoxy)butane
TL;DR: 1-(1-Methylpropoxy)butane (CAS 999-65-5) is a chemical compound with molecular formula C8H18O and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yloxybutane
Also Known As: Butane, 1-(1-methylpropoxy)-, 1-Sec-butoxybutane, Butyl 2-Butyl Ether, 1-butan-2-yloxybutane, 1-s-butoxy-butane
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 999-65-5 |
|---|---|
| SMILES | CCCCOC(C)CC |
| InChIKey | LPVMPBNUHJKNHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1-Methylpropoxy)butane (CAS 999-65-5), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 1-butan-2-yloxybutane.
Chemical Property Profile of 1-(1-Methylpropoxy)butane
Property Insights of 1-(1-Methylpropoxy)butane
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Methylpropoxy)butane. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(1-Methylpropoxy)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methylpropoxy)butane 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-(1-Methylpropoxy)butane?
The CAS number of 1-(1-Methylpropoxy)butane is 999-65-5.
What is the molecular formula of 1-(1-Methylpropoxy)butane?
The molecular formula of 1-(1-Methylpropoxy)butane is C8H18O.
What is the molecular weight of 1-(1-Methylpropoxy)butane?
The molecular weight of 1-(1-Methylpropoxy)butane is 130.14 g/mol.
Where can I buy 1-(1-Methylpropoxy)butane?
You can request a quote for 1-(1-Methylpropoxy)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methylpropoxy)butane?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylpropoxy)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.