![Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate structure](/static/products/900/9004-80-2.png)
Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate
TL;DR: Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate (CAS 9004-80-2) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-oxaspiro[2.6]nonane-2-carboxylate
Also Known As: ethyl 1-oxaspiro[2.6]nonane-2-carboxylate, 3,3-Hexamethylen-glycidsaeure-ethylester, ethyl1-oxaspiro[2.6]nonane-2-carboxylate, ethyl 2-oxaspiro[2.6]nonane-1-carboxylate, 1-oxa-spiro[2.6]nonane-2-carboxylic acid ethyl ester
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 9004-80-2 |
|---|---|
| SMILES | CCOC(=O)C1C2(O1)CCCCCC2 |
| InChIKey | OMIANBSJWVBEAZ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate (CAS 9004-80-2), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: ethyl 1-oxaspiro[2.6]nonane-2-carboxylate.
Chemical Property Profile of Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate
Property Insights of Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-oxaspiro[2.6]nonane-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 1-oxaspiro[2.6]nonane-2-carboxylate?
The CAS number of Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate is 9004-80-2.
What is the molecular formula of Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate?
The molecular formula of Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate is C11H18O3.
What is the molecular weight of Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate?
The molecular weight of Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate is 198.13 g/mol.
Where can I buy Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate?
You can request a quote for Ethyl 1-oxaspiro[2.6]nonane-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 1-oxaspiro[2.6]nonane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-oxaspiro[2.6]nonane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.