Benzyl tert-butyl ether
TL;DR: Benzyl tert-butyl ether (CAS 34826-14-7) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylpropan-2-yl)oxymethylbenzene
Also Known As: Benzyln-butylether, benzyl tert-butyl ether, benzyl t-butyl ether, (tert-Butoxymethyl)benzene, tert-Butyl benzyl ether
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 34826-14-7 |
|---|---|
| SMILES | CC(C)(C)OCC1=CC=CC=C1 |
| InChIKey | TZGIRWVSWPFWBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl tert-butyl ether (CAS 34826-14-7), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: (2-methylpropan-2-yl)oxymethylbenzene.
Chemical Property Profile of Benzyl tert-butyl ether
Property Insights of Benzyl tert-butyl ether
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl tert-butyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Benzyl tert-butyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl tert-butyl ether?
The CAS number of Benzyl tert-butyl ether is 34826-14-7.
What is the molecular formula of Benzyl tert-butyl ether?
The molecular formula of Benzyl tert-butyl ether is C11H16O.
What is the molecular weight of Benzyl tert-butyl ether?
The molecular weight of Benzyl tert-butyl ether is 164.12 g/mol.
Where can I buy Benzyl tert-butyl ether?
You can request a quote for Benzyl 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 Benzyl tert-butyl ether?
Yes, KEHONG BIO provides custom synthesis services for Benzyl tert-butyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.