2-Buteneperoxoic acid, 1,1-dimethylethyl ester
TL;DR: 2-Buteneperoxoic acid, 1,1-dimethylethyl ester (CAS 23474-91-1) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl but-2-eneperoxoate
Also Known As: tert-butyl but-2-eneperoxoate, tert-Butyl 2-buteneperoxoate, 2-Buteneperoxoic acid, 1,1-dimethylethyl ester, Peroxycrotonic acid, tert-butyl ester, EINECS 245-679-6
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 23474-91-1 |
|---|---|
| SMILES | CC=CC(=O)OOC(C)(C)C |
| InChIKey | CXOHVCKJGLFRKZ-UHFFFAOYSA-N |
Product Overview
2-Buteneperoxoic acid, 1,1-dimethylethyl ester (CAS 23474-91-1), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: tert-butyl but-2-eneperoxoate.
Chemical Property Profile of 2-Buteneperoxoic acid, 1,1-dimethylethyl ester
Property Insights of 2-Buteneperoxoic acid, 1,1-dimethylethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buteneperoxoic acid, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Buteneperoxoic acid, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buteneperoxoic acid, 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 2-Buteneperoxoic acid, 1,1-dimethylethyl ester?
The CAS number of 2-Buteneperoxoic acid, 1,1-dimethylethyl ester is 23474-91-1.
What is the molecular formula of 2-Buteneperoxoic acid, 1,1-dimethylethyl ester?
The molecular formula of 2-Buteneperoxoic acid, 1,1-dimethylethyl ester is C8H14O3.
What is the molecular weight of 2-Buteneperoxoic acid, 1,1-dimethylethyl ester?
The molecular weight of 2-Buteneperoxoic acid, 1,1-dimethylethyl ester is 158.09 g/mol.
Where can I buy 2-Buteneperoxoic acid, 1,1-dimethylethyl ester?
You can request a quote for 2-Buteneperoxoic acid, 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 2-Buteneperoxoic acid, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Buteneperoxoic acid, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.