Propyl tert-butyl ether
TL;DR: Propyl tert-butyl ether (CAS 29072-93-3) is a chemical compound with molecular formula C7H16O and molecular weight 116.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-propoxypropane
Also Known As: 2-methyl-2-propoxypropane, Propane, 2-methyl-2-propoxy-, propyl tert-butyl ether, t-butoxypropane, tert-butylpropylether
| Molecular Formula | C7H16O |
|---|---|
| Molecular Weight | 116.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.12012 |
| Heavy Atoms | 8 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 29072-93-3 |
|---|---|
| SMILES | CCCOC(C)(C)C |
| InChIKey | FITVQUMLGWRKKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl tert-butyl ether (CAS 29072-93-3), with molecular formula C7H16O and molecular weight 116.12 g/mol. IUPAC: 2-methyl-2-propoxypropane.
Chemical Property Profile of Propyl tert-butyl ether
Property Insights of Propyl tert-butyl ether
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl tert-butyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Propyl tert-butyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl tert-butyl 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 Propyl tert-butyl ether?
The CAS number of Propyl tert-butyl ether is 29072-93-3.
What is the molecular formula of Propyl tert-butyl ether?
The molecular formula of Propyl tert-butyl ether is C7H16O.
What is the molecular weight of Propyl tert-butyl ether?
The molecular weight of Propyl tert-butyl ether is 116.12 g/mol.
Where can I buy Propyl tert-butyl ether?
You can request a quote for Propyl tert-butyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl tert-butyl ether?
Yes, KEHONG BIO provides custom synthesis services for Propyl tert-butyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.