TL;DR: (5,5-Diacetyloxy-4,4-dichloropentyl) acetate (CAS 141942-61-2) is a chemical compound with molecular formula C11H16Cl2O6 and molecular weight 314.03238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5,5-diacetyloxy-4,4-dichloropentyl) acetate
Also Known As: starbld0001224, (5,5-diacetyloxy-4,4-dichloropentyl) acetate, 1,1,5-Triacetoxy-2,2-dichloropentane, 2,2-Dichloropentane-1,1,5-triyl triacetate, 1,1,5-Triacetoxy-2,2-dichloropentane, 97%
| Molecular Formula | C11H16Cl2O6 |
| Molecular Weight | 314.03238 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.03238 Da |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
| SMILES | CC(=O)OCCCC(C(OC(=O)C)OC(=O)C)(Cl)Cl |
| InChIKey | UVIFLOGGDCXBEL-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5,5-Diacetyloxy-4,4-dichloropentyl) acetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,5-Diacetyloxy-4,4-dichloropentyl) acetate. Following Lipinski's Rule of Five, (5,5-Diacetyloxy-4,4-dichloropentyl) acetate 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 (5,5-Diacetyloxy-4,4-dichloropentyl) acetate is 141942-61-2.
The molecular formula of (5,5-Diacetyloxy-4,4-dichloropentyl) acetate is C11H16Cl2O6.
The molecular weight of (5,5-Diacetyloxy-4,4-dichloropentyl) acetate is 314.03238 g/mol.
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