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Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate
TL;DR: Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate (CAS 52840-45-6) is a chemical compound with molecular formula C14H24O3 and molecular weight 240.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate
Also Known As: Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate, Ethyl 6-tert-butyl-1-oxaspiro(2.5)octane-2-carboxylate, J1.725.382D, ethyl 6-tert-butyl-2-oxaspiro[2.5]octane-1-carboxylate, Ethyl6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate
| Molecular Formula | C14H24O3 |
|---|---|
| Molecular Weight | 240.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.17255 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 52840-45-6 |
|---|---|
| SMILES | CCOC(=O)C1C2(O1)CCC(CC2)C(C)(C)C |
| InChIKey | ZUBUPLFQSZUSEN-UHFFFAOYSA-N |
Product Overview
Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate (CAS 52840-45-6), with molecular formula C14H24O3 and molecular weight 240.17 g/mol. IUPAC: ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate.
Chemical Property Profile of Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate
Property Insights of Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate
The XLogP value of 3.2 indicates that Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate?
The CAS number of Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate is 52840-45-6.
What is the molecular formula of Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate?
The molecular formula of Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate is C14H24O3.
What is the molecular weight of Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate?
The molecular weight of Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate is 240.17 g/mol.
Where can I buy Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate?
You can request a quote for Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.