Ethyl 2-methyl-4-pentenoate
TL;DR: Ethyl 2-methyl-4-pentenoate (CAS 53399-81-8) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylpent-4-enoate
Also Known As: Ethyl 2-methyl-4-pentenoate, Ethyl 2-methylpent-4-enoate, pineapple pentenoate, 2,3-Dimethyldecane, 2-Methyl-4-pentenoic Acid Ethyl Ester
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
| Boiling Point | 153.00 to 155.00 °C. @ 760.00 mm Hg |
| Density | 0.891 |
| Solubility | insoluble in water, soluble in alcohol and fixed oils |
| Refractive Index | 1.415-1.421 |
Chemical Identifiers
| CAS Number | 53399-81-8 |
|---|---|
| SMILES | CCOC(=O)C(C)CC=C |
| InChIKey | BDBGKYIBDXAVMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methyl-4-pentenoate (CAS 53399-81-8), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: ethyl 2-methylpent-4-enoate.
Chemical Property Profile of Ethyl 2-methyl-4-pentenoate
Property Insights of Ethyl 2-methyl-4-pentenoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-methyl-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-pentenoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-methyl-4-pentenoate?
The CAS number of Ethyl 2-methyl-4-pentenoate is 53399-81-8.
What is the molecular formula of Ethyl 2-methyl-4-pentenoate?
The molecular formula of Ethyl 2-methyl-4-pentenoate is C8H14O2.
What is the molecular weight of Ethyl 2-methyl-4-pentenoate?
The molecular weight of Ethyl 2-methyl-4-pentenoate is 142.10 g/mol.
Where can I buy Ethyl 2-methyl-4-pentenoate?
You can request a quote for Ethyl 2-methyl-4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.