TL;DR: 8,8-Dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane (CAS 160707-90-4) is a chemical compound with molecular formula C7H10Cl2O2 and molecular weight 196.00578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8,8-dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane
Also Known As: 8,8-dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane, 6,6-dichloro-3-methylperhydrocyclopropa[e][1,3]dioxepine, 4-methyl-8,8-dichloro-3,5-dioxabicyclo[5.1.0]octane
| Molecular Formula | C7H10Cl2O2 |
| Molecular Weight | 196.00578 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.00578 Da |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
| SMILES | CC1OCC2C(C2(Cl)Cl)CO1 |
| InChIKey | JWUFJPDDDZWREZ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8-Dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane. With a topological polar surface area (TPSA) of 18.5 Ų, 8,8-Dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,8-Dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8,8-Dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane is 160707-90-4.
The molecular formula of 8,8-Dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane is C7H10Cl2O2.
The molecular weight of 8,8-Dichloro-4-methyl-3,5-dioxabicyclo[5.1.0]octane is 196.00578 g/mol.
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