TL;DR: 8-(Bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane (CAS 1005150-45-7) is a chemical compound with molecular formula C10H17BrO and molecular weight 232.04628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane
Also Known As: 8-(bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane, 8-(bromomethyl)-5,8-dimethyl-3-oxabicyclo[3.2.1]octane
| Molecular Formula | C10H17BrO |
| Molecular Weight | 232.04628 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.04628 Da |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
| SMILES | CC12CCC(C1(C)CBr)COC2 |
| InChIKey | BHVJSNVANTXHSG-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane. With a topological polar surface area (TPSA) of 9.2 Ų, 8-(Bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane 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 8-(Bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane is 1005150-45-7.
The molecular formula of 8-(Bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane is C10H17BrO.
The molecular weight of 8-(Bromomethyl)-1,8-dimethyl-3-oxabicyclo[3.2.1]octane is 232.04628 g/mol.
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