TL;DR: Dibutyl 2,2'-oxybisacetate (CAS 6634-18-0) is a chemical compound with molecular formula C12H22O5 and molecular weight 246.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-(2-butoxy-2-oxoethoxy)acetate
Also Known As: Dibutyl oxybisacetate, Dibutyl 2,2'-oxybisacetate, dibutyl 2,2'-oxydiacetate, Dibutyl Diglycolate, butyl 2-(2-butoxy-2-oxoethoxy)acetate
| Molecular Formula | C12H22O5 |
| Molecular Weight | 246.14673 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 246.14673 Da |
| Heavy Atoms | 17 |
| Complexity | 193.0 |
| SMILES | CCCCOC(=O)COCC(=O)OCCCC |
| InChIKey | GYTOWSMQXHCYNU-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl 2,2'-oxybisacetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl 2,2'-oxybisacetate. Following Lipinski's Rule of Five, Dibutyl 2,2'-oxybisacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dibutyl 2,2'-oxybisacetate is 6634-18-0.
The molecular formula of Dibutyl 2,2'-oxybisacetate is C12H22O5.
The molecular weight of Dibutyl 2,2'-oxybisacetate is 246.14673 g/mol.
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