5-Ethoxy-3-methyl-5-oxopent-2-enoic acid
TL;DR: 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid (CAS 130007-49-7) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethoxy-3-methyl-5-oxopent-2-enoic acid
Also Known As: 5-ethoxy-3-methyl-5-oxopent-3-enoic acid
Technical Specifications
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.07356 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.07356 Da |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
| SMILES | CCOC(=O)CC(=CC(=O)O)C |
| InChIKey | UUSCDBPORGOEGP-UHFFFAOYSA-N |
Chemical Property Profile of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid
Property Insights of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid. Following Lipinski's Rule of Five, 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid?
The CAS number of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid is 130007-49-7.
What is the molecular formula of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid?
The molecular formula of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid is C8H12O4.
What is the molecular weight of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid?
The molecular weight of 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid is 172.07356 g/mol.
Where can I buy 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid?
You can request a quote for 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Ethoxy-3-methyl-5-oxopent-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.