Ethyl 4,4-dimethylpent-2-ynoate
TL;DR: Ethyl 4,4-dimethylpent-2-ynoate (CAS 35066-45-6) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-dimethylpent-2-ynoate
Also Known As: ethyl 4,4-dimethylpent-2-ynoate, ethyl 4,4-dimethyl-2-pentynoate, ethyl4,4-dimethyl-2-pentynoate, 4,4-Dimethyl-2-pentynoic acid ethyl ester, 2-pentynoic acid, 4,4-dimethyl-, ethyl ester
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 35066-45-6 |
|---|---|
| SMILES | CCOC(=O)C#CC(C)(C)C |
| InChIKey | CZYRGTVHKKGDCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,4-dimethylpent-2-ynoate (CAS 35066-45-6), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: ethyl 4,4-dimethylpent-2-ynoate.
Chemical Property Profile of Ethyl 4,4-dimethylpent-2-ynoate
Property Insights of Ethyl 4,4-dimethylpent-2-ynoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-dimethylpent-2-ynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4,4-dimethylpent-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4-dimethylpent-2-ynoate 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 4,4-dimethylpent-2-ynoate?
The CAS number of Ethyl 4,4-dimethylpent-2-ynoate is 35066-45-6.
What is the molecular formula of Ethyl 4,4-dimethylpent-2-ynoate?
The molecular formula of Ethyl 4,4-dimethylpent-2-ynoate is C9H14O2.
What is the molecular weight of Ethyl 4,4-dimethylpent-2-ynoate?
The molecular weight of Ethyl 4,4-dimethylpent-2-ynoate is 154.10 g/mol.
Where can I buy Ethyl 4,4-dimethylpent-2-ynoate?
You can request a quote for Ethyl 4,4-dimethylpent-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4-dimethylpent-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-dimethylpent-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.