TL;DR: 1-Oxaspiro[2.5]octane-2-carboxylic acid (CAS 151586-69-5) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-oxaspiro[2.5]octane-2-carboxylic acid
Also Known As: 1-Oxaspiro[2.5]octane-2-carboxylic acid, 1-Oxaspiro[2.5]octane-2-carboxylicacid, 1-Oxaspiro(2.5)octane-2-carboxylic acid, 2-oxaspiro[2.5]octane-1-carboxylic acid, 2-oxaspiro[2.5]octanecarboxylic acid
| Molecular Formula | C8H12O3 |
| Molecular Weight | 156.07864 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.07864 Da |
| Heavy Atoms | 11 |
| Complexity | 182.0 |
| SMILES | C1CCC2(CC1)C(O2)C(=O)O |
| InChIKey | HERZVTMGADJIFJ-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxaspiro[2.5]octane-2-carboxylic acid. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Oxaspiro[2.5]octane-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxaspiro[2.5]octane-2-carboxylic acid has 1 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 1-Oxaspiro[2.5]octane-2-carboxylic acid is 151586-69-5.
The molecular formula of 1-Oxaspiro[2.5]octane-2-carboxylic acid is C8H12O3.
The molecular weight of 1-Oxaspiro[2.5]octane-2-carboxylic acid is 156.07864 g/mol.
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