TL;DR: 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl- (CAS 146876-92-8) is a chemical compound with molecular formula C11H18N+ and molecular weight 164.14392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-4-azoniatricyclo[5.2.1.02,6]dec-8-ene
Also Known As: dimethyl[?], 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-, J2.677.771B, 4,4-Dimethyl-4-azoniatricyclo[5.2.1.02,6]dec-8-ene, 4,4-dimethyl-4-azatricyclo[5.2.1.02,6]dec-8-en-4-ium
| Molecular Formula | C11H18N+ |
| Molecular Weight | 164.14392 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.14392 Da |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
| SMILES | C[N+]1(CC2C3CC(C2C1)C=C3)C |
| InChIKey | QDAIJGUPJLWODC-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl- is 146876-92-8.
The molecular formula of 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl- is C11H18N+.
The molecular weight of 4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl- is 164.14392 g/mol.
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