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Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate
TL;DR: Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate (CAS 10581-05-2) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate
Also Known As: ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate, ethyl 8-methyl-6-oxo-7,9-dioxaspiro[4.4]nonane-8-carboxylate, 1,3-Dioxaspiro[4.4]nonane-2-carboxylicacid, 2-methyl-4-oxo-, ethyl ester
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 10581-05-2 |
|---|---|
| SMILES | CCOC(=O)C1(OC(=O)C2(O1)CCCC2)C |
| InChIKey | SOCZOSCROMDDED-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate (CAS 10581-05-2), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate
Property Insights of Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate has 0 hydrogen bond donor(s) and 5 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-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate?
The CAS number of Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate is 10581-05-2.
What is the molecular formula of Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate?
The molecular formula of Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate is C11H16O5.
What is the molecular weight of Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate?
The molecular weight of Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate is 228.10 g/mol.
Where can I buy Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate?
You can request a quote for Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]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 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4-oxo-1,3-dioxaspiro[4.4]nonane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.