Vinyl isobutyl ether
TL;DR: Vinyl isobutyl ether (CAS 109-53-5) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenoxy-2-methylpropane
Also Known As: ISOBUTYL VINYL ETHER, Vinyl isobutyl ether, Isobutoxyethene, Ether, isobutyl vinyl, Isobutanol vinyl ether
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 48.0 |
| Flash Point | -9.4 °C (NFPA, 2010) |
| Vapor Pressure | 59.5 [mmHg] |
Chemical Identifiers
| CAS Number | 109-53-5 |
|---|---|
| SMILES | CC(C)COC=C |
| InChIKey | OZCMOJQQLBXBKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl isobutyl ether (CAS 109-53-5), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 1-ethenoxy-2-methylpropane.
Chemical Property Profile of Vinyl isobutyl ether
Property Insights of Vinyl isobutyl ether
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl isobutyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Vinyl isobutyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 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 Vinyl isobutyl ether?
The CAS number of Vinyl isobutyl ether is 109-53-5.
What is the molecular formula of Vinyl isobutyl ether?
The molecular formula of Vinyl isobutyl ether is C6H12O.
What is the molecular weight of Vinyl isobutyl ether?
The molecular weight of Vinyl isobutyl ether is 100.09 g/mol.
Where can I buy Vinyl isobutyl ether?
You can request a quote for Vinyl isobutyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl isobutyl ether?
Yes, KEHONG BIO provides custom synthesis services for Vinyl isobutyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.