Ethyl pivalate
TL;DR: Ethyl pivalate (CAS 3938-95-2) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethylpropanoate
Also Known As: Ethyl trimethylacetate, Ethyl pivalate, Ethylpivalate, ethyl pivaloate, ETHYL 2,2-DIMETHYLPROPANOATE
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 3938-95-2 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C |
| InChIKey | HHEIMYAXCOIQCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl pivalate (CAS 3938-95-2), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: ethyl 2,2-dimethylpropanoate.
Chemical Property Profile of Ethyl pivalate
Property Insights of Ethyl pivalate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl pivalate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pivalate 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 pivalate?
The CAS number of Ethyl pivalate is 3938-95-2.
What is the molecular formula of Ethyl pivalate?
The molecular formula of Ethyl pivalate is C7H14O2.
What is the molecular weight of Ethyl pivalate?
The molecular weight of Ethyl pivalate is 130.10 g/mol.
Where can I buy Ethyl pivalate?
You can request a quote for Ethyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.