Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
TL;DR: Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester (CAS 53566-76-0) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,2-dimethylbutaneperoxoate
Also Known As: tert-Butyl 2,2-dimethylperoxybutyrate, tertiary amyl perpivalate, tert-butyl 2,2-dimethylbutaneperoxoate, tert-Butyl 2,2-dimethylperbutyrate, Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 53566-76-0 |
|---|---|
| SMILES | CCC(C)(C)C(=O)OOC(C)(C)C |
| InChIKey | HFBIJLUEBFHPTH-UHFFFAOYSA-N |
Product Overview
Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester (CAS 53566-76-0), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: tert-butyl 2,2-dimethylbutaneperoxoate.
Chemical Property Profile of Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
Property Insights of Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester has 0 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 Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester?
The CAS number of Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester is 53566-76-0.
What is the molecular formula of Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester?
The molecular formula of Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester is C10H20O3.
What is the molecular weight of Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester?
The molecular weight of Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester is 188.14 g/mol.
Where can I buy Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester?
You can request a quote for Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.