TL;DR: Ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate (CAS 103206-56-0) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate
Also Known As: ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate, ethyl 1-propyl-2-oxaspiro[2.5]octane-1-carboxylate
| Molecular Formula | C13H22O3 |
| Molecular Weight | 226.15689 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.15689 Da |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| SMILES | CCCC1(C2(O1)CCCCC2)C(=O)OCC |
| InChIKey | YSVKANOHBGCUAI-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-propyl-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.
The CAS number of Ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate is 103206-56-0.
The molecular formula of Ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate is C13H22O3.
The molecular weight of Ethyl 2-propyl-1-oxaspiro[2.5]octane-2-carboxylate is 226.15689 g/mol.
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