TL;DR: 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester (CAS 134515-27-8) is a chemical compound with molecular formula C15H22O6 and molecular weight 298.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-oxo-1-oxaspiro[4.5]decane-3,4-dicarboxylate
Also Known As: BIM-0032401.P001, 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester, BB 0218277, diethyl 2-oxo-1-oxaspiro[4.5]decane-3,4-dicarboxylate, diethyl 2-oxo-1-oxaspiro[4,5]decane-3,4-dicarboxylate
| Molecular Formula | C15H22O6 |
| Molecular Weight | 298.14163 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.14163 Da |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
| SMILES | CCOC(=O)C1C(C2(CCCCC2)OC1=O)C(=O)OCC |
| InChIKey | ILNXAWKNNQLIDU-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester. Following Lipinski's Rule of Five, 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester is 134515-27-8.
The molecular formula of 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester is C15H22O6.
The molecular weight of 2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester is 298.14163 g/mol.
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