2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid
TL;DR: 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid (CAS 164364-44-7) 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.
2-(2-methoxy-2-oxoethyl)-3-methylbut-2-enoic acid
Also Known As: 2-(2-methoxy-2-oxoethyl)-3-methylbut-2-enoic acid, 2-(methoxycarbonylmethyl)-3-methyl-but-2-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 | 4 |
| Exact Mass | 172.07356 Da |
| Heavy Atoms | 12 |
| Complexity | 223.0 |
| SMILES | CC(=C(CC(=O)OC)C(=O)O)C |
| InChIKey | HNRBMBFOADTSPS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid
Property Insights of 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid. Following Lipinski's Rule of Five, 2-(2-Methoxy-2-oxoethyl)-3-methylbut-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 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid?
The CAS number of 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid is 164364-44-7.
What is the molecular formula of 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid?
The molecular formula of 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid is C8H12O4.
What is the molecular weight of 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid?
The molecular weight of 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid is 172.07356 g/mol.
Where can I buy 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid?
You can request a quote for 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Methoxy-2-oxoethyl)-3-methylbut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.