Ethyl 4-methyl-4-pentenoate
TL;DR: Ethyl 4-methyl-4-pentenoate (CAS 4911-54-0) 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 4-methylpent-4-enoate
Also Known As: Ethyl 4-methyl-4-pentenoate, Ethyl 4-methylpent-4-enoate, Ethyl4-methylpent-4-enoate, 4-methyl-pent-4-enoic acid ethyl ester, Ethyl 4-methyl-4-pentenoate, 95%
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.9058 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 127.219284 |
Chemical Identifiers
| CAS Number | 4911-54-0 |
|---|---|
| SMILES | CCOC(=O)CCC(=C)C |
Product Overview
Ethyl 4-methyl-4-pentenoate (CAS 4911-54-0), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: ethyl 4-methylpent-4-enoate.
Chemical Property Profile of Ethyl 4-methyl-4-pentenoate
Property Insights of Ethyl 4-methyl-4-pentenoate
The XLogP value of 1.9058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-methyl-4-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-methyl-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-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 4-methyl-4-pentenoate?
The CAS number of Ethyl 4-methyl-4-pentenoate is 4911-54-0.
What is the molecular formula of Ethyl 4-methyl-4-pentenoate?
The molecular formula of Ethyl 4-methyl-4-pentenoate is C8H14O2.
What is the molecular weight of Ethyl 4-methyl-4-pentenoate?
The molecular weight of Ethyl 4-methyl-4-pentenoate is 142.10 g/mol.
Where can I buy Ethyl 4-methyl-4-pentenoate?
You can request a quote for Ethyl 4-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 4-methyl-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.