Ethyl 3,3-dimethylbutyrate
TL;DR: Ethyl 3,3-dimethylbutyrate (CAS 5340-78-3) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-dimethylbutanoate
Also Known As: Ethyl tert-butylacetate, Ethyl 3,3-dimethylbutanoate, Ethyltert-butylacetate, Ethyl 3,3-dimethylbutyrate, 3, ethyl ester
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 5340-78-3 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)C |
| InChIKey | JWMNHAMYTBAUPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,3-dimethylbutyrate (CAS 5340-78-3), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: ethyl 3,3-dimethylbutanoate.
Chemical Property Profile of Ethyl 3,3-dimethylbutyrate
Property Insights of Ethyl 3,3-dimethylbutyrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-dimethylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,3-dimethylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-dimethylbutyrate 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 3,3-dimethylbutyrate?
The CAS number of Ethyl 3,3-dimethylbutyrate is 5340-78-3.
What is the molecular formula of Ethyl 3,3-dimethylbutyrate?
The molecular formula of Ethyl 3,3-dimethylbutyrate is C8H16O2.
What is the molecular weight of Ethyl 3,3-dimethylbutyrate?
The molecular weight of Ethyl 3,3-dimethylbutyrate is 144.12 g/mol.
Where can I buy Ethyl 3,3-dimethylbutyrate?
You can request a quote for Ethyl 3,3-dimethylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-dimethylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-dimethylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.