Ethyl 2,2-diethylbutyrate
TL;DR: Ethyl 2,2-diethylbutyrate (CAS 34666-17-6) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-diethylbutanoate
Also Known As: ethyl 2,2-diethylbutanoate, ETHYL 2,2-DIETHYLBUTYRATE, 1,4-dibromoadamantane, Ethyl2,2-diethylbutyrate, Ethyl 2,2-diethylbutyrate, 98%
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 34666-17-6 |
|---|---|
| SMILES | CCC(CC)(CC)C(=O)OCC |
| InChIKey | LXVSPQCOBPFDOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,2-diethylbutyrate (CAS 34666-17-6), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: ethyl 2,2-diethylbutanoate.
Chemical Property Profile of Ethyl 2,2-diethylbutyrate
Property Insights of Ethyl 2,2-diethylbutyrate
The XLogP value of 3.0 indicates that Ethyl 2,2-diethylbutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,2-diethylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-diethylbutyrate 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-diethylbutyrate?
The CAS number of Ethyl 2,2-diethylbutyrate is 34666-17-6.
What is the molecular formula of Ethyl 2,2-diethylbutyrate?
The molecular formula of Ethyl 2,2-diethylbutyrate is C10H20O2.
What is the molecular weight of Ethyl 2,2-diethylbutyrate?
The molecular weight of Ethyl 2,2-diethylbutyrate is 172.15 g/mol.
Where can I buy Ethyl 2,2-diethylbutyrate?
You can request a quote for Ethyl 2,2-diethylbutyrate 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-diethylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-diethylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.