TL;DR: Spiro[2.3]hexan-4-one, 5,5-dichloro- (CAS 138469-24-6) is a chemical compound with molecular formula C6H6Cl2O and molecular weight 163.97957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-dichlorospiro[2.3]hexan-6-one
Also Known As: 4-Spirohexanone, 5,5-dichloro-, Spiro[2.3]hexan-4-one, 5,5-dichloro-, 5,5-Dichlorospiro[2.3]hexan-4-one, 5,5-dichlorospiro<2.3>hexan-4-one, 5,5-dichlorospiro[2.3]hexan-6-one
| Molecular Formula | C6H6Cl2O |
| Molecular Weight | 163.97957 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.97957 Da |
| Heavy Atoms | 9 |
| Complexity | 181.0 |
| SMILES | C1CC12CC(C2=O)(Cl)Cl |
| InChIKey | APXRTJAPLSGABP-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[2.3]hexan-4-one, 5,5-dichloro-. With a topological polar surface area (TPSA) of 17.1 Ų, Spiro[2.3]hexan-4-one, 5,5-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[2.3]hexan-4-one, 5,5-dichloro- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Spiro[2.3]hexan-4-one, 5,5-dichloro- is 138469-24-6.
The molecular formula of Spiro[2.3]hexan-4-one, 5,5-dichloro- is C6H6Cl2O.
The molecular weight of Spiro[2.3]hexan-4-one, 5,5-dichloro- is 163.97957 g/mol.
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