Isopropenyl isopropyl ether
TL;DR: Isopropenyl isopropyl ether (CAS 4188-63-0) 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.
2-prop-1-en-2-yloxypropane
Also Known As: 2-isopropoxypropene, isopropenyl isopropyl ether, 2-prop-1-en-2-yloxypropane, Ether Isopropenyl Isopropyl, 2-(1-methylethoxy)propene
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 4188-63-0 |
|---|---|
| SMILES | CC(C)OC(=C)C |
| InChIKey | MLALRMZPIVORPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropenyl isopropyl ether (CAS 4188-63-0), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: 2-prop-1-en-2-yloxypropane.
Chemical Property Profile of Isopropenyl isopropyl ether
Property Insights of Isopropenyl isopropyl ether
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropenyl isopropyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Isopropenyl isopropyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropenyl isopropyl 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 Isopropenyl isopropyl ether?
The CAS number of Isopropenyl isopropyl ether is 4188-63-0.
What is the molecular formula of Isopropenyl isopropyl ether?
The molecular formula of Isopropenyl isopropyl ether is C6H12O.
What is the molecular weight of Isopropenyl isopropyl ether?
The molecular weight of Isopropenyl isopropyl ether is 100.09 g/mol.
Where can I buy Isopropenyl isopropyl ether?
You can request a quote for Isopropenyl isopropyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropenyl isopropyl ether?
Yes, KEHONG BIO provides custom synthesis services for Isopropenyl isopropyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.