Ethyl 2,2-dimethylbut-3-enoate
TL;DR: Ethyl 2,2-dimethylbut-3-enoate (CAS 58544-20-0) 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 2,2-dimethylbut-3-enoate
Also Known As: ethyl 2,2-dimethylbut-3-enoate, 2,2-dimethyl-but-3-enoic acid ethyl ester, Ethyl 2,2-dimethyl-3-butenoate, 2,2-Dimethyl-3-butenoic Acid Ethyl Ester, 3-Butenoic acid, 2,2-dimethyl-, ethyl ester
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.2 |
| 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 | 136.0 |
Chemical Identifiers
| CAS Number | 58544-20-0 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C=C |
| InChIKey | QXPBUEMBEQQXKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,2-dimethylbut-3-enoate (CAS 58544-20-0), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: ethyl 2,2-dimethylbut-3-enoate.
Chemical Property Profile of Ethyl 2,2-dimethylbut-3-enoate
Property Insights of Ethyl 2,2-dimethylbut-3-enoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dimethylbut-3-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,2-dimethylbut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dimethylbut-3-enoate 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 2,2-dimethylbut-3-enoate?
The CAS number of Ethyl 2,2-dimethylbut-3-enoate is 58544-20-0.
What is the molecular formula of Ethyl 2,2-dimethylbut-3-enoate?
The molecular formula of Ethyl 2,2-dimethylbut-3-enoate is C8H14O2.
What is the molecular weight of Ethyl 2,2-dimethylbut-3-enoate?
The molecular weight of Ethyl 2,2-dimethylbut-3-enoate is 142.10 g/mol.
Where can I buy Ethyl 2,2-dimethylbut-3-enoate?
You can request a quote for Ethyl 2,2-dimethylbut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethylbut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethylbut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.