2-(2-Butoxyethoxy)ethyl 3-oxobutanoate
TL;DR: 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate (CAS 104822-41-5) is a chemical compound with molecular formula C12H22O5 and molecular weight 246.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-butoxyethoxy)ethyl 3-oxobutanoate
Also Known As: 2-(2-butoxyethoxy)ethyl 3-oxobutanoate, acetoacetic acid-[2-(2-butoxy-ethoxy)-ethyl ester]
Technical Specifications
| Molecular Formula | C12H22O5 |
| Molecular Weight | 246.14673 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 246.14673 Da |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
| SMILES | CCCCOCCOCCOC(=O)CC(=O)C |
| InChIKey | KFTQDDKYVVHNMK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate
Property Insights of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate. Following Lipinski's Rule of Five, 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate?
The CAS number of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate is 104822-41-5.
What is the molecular formula of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate?
The molecular formula of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate is C12H22O5.
What is the molecular weight of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate?
The molecular weight of 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate is 246.14673 g/mol.
Where can I buy 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate?
You can request a quote for 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for 2-(2-Butoxyethoxy)ethyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.