Ethyl 2-methyl-3,4-pentadienoate
TL;DR: Ethyl 2-methyl-3,4-pentadienoate (CAS 60523-21-9) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-methylpenta-3,4-dienoate
Also Known As: Ethyl 2-methyl-3,4-pentadienoate, Ethyl 2-methylpenta-3,4-dienoate, berry pentadienoate, FEMA No. 3678, FEMA 3678
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.08372 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.08372 Da |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
| Density | 0.922-0.928 |
| Refractive Index | 1.446-1.452 |
| SMILES | CCOC(=O)C(C)C=C=C |
| InChIKey | DDZLNKMWFGDTAX-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-methyl-3,4-pentadienoate
Property Insights of Ethyl 2-methyl-3,4-pentadienoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3,4-pentadienoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-methyl-3,4-pentadienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-3,4-pentadienoate has 0 hydrogen bond donor(s) and 2 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 2-methyl-3,4-pentadienoate?
The CAS number of Ethyl 2-methyl-3,4-pentadienoate is 60523-21-9.
What is the molecular formula of Ethyl 2-methyl-3,4-pentadienoate?
The molecular formula of Ethyl 2-methyl-3,4-pentadienoate is C8H12O2.
What is the molecular weight of Ethyl 2-methyl-3,4-pentadienoate?
The molecular weight of Ethyl 2-methyl-3,4-pentadienoate is 140.08372 g/mol.
Where can I buy Ethyl 2-methyl-3,4-pentadienoate?
You can request a quote for Ethyl 2-methyl-3,4-pentadienoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-methyl-3,4-pentadienoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-methyl-3,4-pentadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.