1-Tert-butylperoxyethanol
TL;DR: 1-Tert-butylperoxyethanol (CAS 4202-06-6) is a chemical compound with molecular formula C6H14O3 and molecular weight 134.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylperoxyethanol
Also Known As: 1-tert-butylperoxyethanol, 1-(t-butylperoxy) ethanol, 1-(tert-Butylperoxy)ethan-1-ol, tert-Butyl 2-hydroxyethyl peroxide, Ethanol, 2-[(1,1-dimethylethyl)dioxy]-
| Molecular Formula | C6H14O3 |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.0943 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 4202-06-6 |
|---|---|
| SMILES | CC(O)OOC(C)(C)C |
| InChIKey | KIXWZUXGOBMLHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Tert-butylperoxyethanol (CAS 4202-06-6), with molecular formula C6H14O3 and molecular weight 134.09 g/mol. IUPAC: 1-tert-butylperoxyethanol.
Chemical Property Profile of 1-Tert-butylperoxyethanol
Property Insights of 1-Tert-butylperoxyethanol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butylperoxyethanol. With a topological polar surface area (TPSA) of 38.7 Ų, 1-Tert-butylperoxyethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butylperoxyethanol has 1 hydrogen bond donor(s) and 3 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 1-Tert-butylperoxyethanol?
The CAS number of 1-Tert-butylperoxyethanol is 4202-06-6.
What is the molecular formula of 1-Tert-butylperoxyethanol?
The molecular formula of 1-Tert-butylperoxyethanol is C6H14O3.
What is the molecular weight of 1-Tert-butylperoxyethanol?
The molecular weight of 1-Tert-butylperoxyethanol is 134.09 g/mol.
Where can I buy 1-Tert-butylperoxyethanol?
You can request a quote for 1-Tert-butylperoxyethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butylperoxyethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butylperoxyethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.