Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester
TL;DR: Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester (CAS 62695-55-0) is a chemical compound with molecular formula C12H24O4 and molecular weight 232.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylperoxyethyl hexanoate
Also Known As: 2-tert-butylperoxyethyl hexanoate, tert-Butylperoxy-2-ethylhexanoate, 2-(tert-butylperoxy)ethyl caproate, Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester, 2-(TERT-BUTYLPEROXY)ETHYL HEXANOATE
| Molecular Formula | C12H24O4 |
|---|---|
| Molecular Weight | 232.17 g/mol |
| LogP | 2.8566 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 232.16747 |
| Heavy Atoms | 16 |
| Complexity | 183.94801 |
Chemical Identifiers
| CAS Number | 62695-55-0 |
|---|---|
| SMILES | CCCCCC(=O)OCCOOC(C)(C)C |
Product Overview
Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester (CAS 62695-55-0), with molecular formula C12H24O4 and molecular weight 232.17 g/mol. IUPAC: 2-tert-butylperoxyethyl hexanoate.
Chemical Property Profile of Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester
Property Insights of Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester
The XLogP value of 2.8566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester. With a topological polar surface area (TPSA) of 44.76 Ų, Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester has 0 hydrogen bond donor(s) and 4 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 Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester?
The CAS number of Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester is 62695-55-0.
What is the molecular formula of Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester?
The molecular formula of Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester is C12H24O4.
What is the molecular weight of Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester?
The molecular weight of Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester is 232.17 g/mol.
Where can I buy Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester?
You can request a quote for Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-((1,1-dimethylethyl)dioxy)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.