Ether, tert-butyl 3,3-dimethylbutyl
TL;DR: Ether, tert-butyl 3,3-dimethylbutyl (CAS 4419-58-3) is a chemical compound with molecular formula C10H22O and molecular weight 158.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
Also Known As: 1-tert-Butyloxy-3,3-dimethylbutane, 1-(tert-butoxy)-3,3-dimethylbutane, Ether, tert-butyl 3,3-dimethylbutyl, 1-tert-Butoxy-3,3-dimethylbutane, 1-tert-Butoxy-3,3-dimethylbutane #
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 4419-58-3 |
|---|---|
| SMILES | CC(C)(C)CCOC(C)(C)C |
| InChIKey | DGZYZEOJFVHACS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ether, tert-butyl 3,3-dimethylbutyl (CAS 4419-58-3), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane.
Chemical Property Profile of Ether, tert-butyl 3,3-dimethylbutyl
Property Insights of Ether, tert-butyl 3,3-dimethylbutyl
The XLogP value of 3.1 indicates that Ether, tert-butyl 3,3-dimethylbutyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Ether, tert-butyl 3,3-dimethylbutyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ether, tert-butyl 3,3-dimethylbutyl 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 Ether, tert-butyl 3,3-dimethylbutyl?
The CAS number of Ether, tert-butyl 3,3-dimethylbutyl is 4419-58-3.
What is the molecular formula of Ether, tert-butyl 3,3-dimethylbutyl?
The molecular formula of Ether, tert-butyl 3,3-dimethylbutyl is C10H22O.
What is the molecular weight of Ether, tert-butyl 3,3-dimethylbutyl?
The molecular weight of Ether, tert-butyl 3,3-dimethylbutyl is 158.17 g/mol.
Where can I buy Ether, tert-butyl 3,3-dimethylbutyl?
You can request a quote for Ether, tert-butyl 3,3-dimethylbutyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ether, tert-butyl 3,3-dimethylbutyl?
Yes, KEHONG BIO provides custom synthesis services for Ether, tert-butyl 3,3-dimethylbutyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.