Isobutyl ether
TL;DR: Isobutyl ether (CAS 628-55-7) 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.
2-methyl-1-(2-methylpropoxy)propane
Also Known As: DIISOBUTYL ETHER, Isobutyl ether, diisobutylether, Dimethallyl ether, 2-methylpropyl ether
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 628-55-7 |
|---|---|
| SMILES | CC(C)COCC(C)C |
| InChIKey | SZNYYWIUQFZLLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl ether (CAS 628-55-7), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 2-methyl-1-(2-methylpropoxy)propane.
Chemical Property Profile of Isobutyl ether
Property Insights of Isobutyl ether
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Isobutyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl ether?
The CAS number of Isobutyl ether is 628-55-7.
What is the molecular formula of Isobutyl ether?
The molecular formula of Isobutyl ether is C8H18O.
What is the molecular weight of Isobutyl ether?
The molecular weight of Isobutyl ether is 130.14 g/mol.
Where can I buy Isobutyl ether?
You can request a quote for Isobutyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl ether?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.