ethyl 3-methyl-4-oxopent-2-enoate
TL;DR: ethyl 3-methyl-4-oxopent-2-enoate (CAS 107368-26-3) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-methyl-4-oxopent-2-enoate
Also Known As: ethyl 3-methyl-4-oxopent-2-enoate, 2-Pentenoic acid, 3-methyl-4-oxo-, ethyl ester, (E)-, 2-Pentenoic acid, 3-methyl-4-oxo-, ethyl ester, (Z)-
Technical Specifications
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.07864 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.07864 Da |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
| SMILES | CCOC(=O)C=C(C)C(=O)C |
| InChIKey | RSZTVSCDAXYPTP-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-methyl-4-oxopent-2-enoate
Property Insights of ethyl 3-methyl-4-oxopent-2-enoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-methyl-4-oxopent-2-enoate. With a topological polar surface area (TPSA) of 43.4 Ų, ethyl 3-methyl-4-oxopent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-methyl-4-oxopent-2-enoate 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
What is the CAS number of ethyl 3-methyl-4-oxopent-2-enoate?
The CAS number of ethyl 3-methyl-4-oxopent-2-enoate is 107368-26-3.
What is the molecular formula of ethyl 3-methyl-4-oxopent-2-enoate?
The molecular formula of ethyl 3-methyl-4-oxopent-2-enoate is C8H12O3.
What is the molecular weight of ethyl 3-methyl-4-oxopent-2-enoate?
The molecular weight of ethyl 3-methyl-4-oxopent-2-enoate is 156.07864 g/mol.
Where can I buy ethyl 3-methyl-4-oxopent-2-enoate?
You can request a quote for ethyl 3-methyl-4-oxopent-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-methyl-4-oxopent-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-methyl-4-oxopent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.