TL;DR: 1,3-Methanopentalene, 1,2,3,5-tetrahydro- (CAS 128600-88-4) is a chemical compound with molecular formula C9H10 and molecular weight 118.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tricyclo[5.1.1.02,6]nona-2,5-diene
Also Known As: 1,3-Methanopentalene, 1,2,3,5-tetrahydro-
| Molecular Formula | C9H10 |
| Molecular Weight | 118.07825 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.07825 Da |
| Heavy Atoms | 9 |
| Complexity | 188.0 |
| SMILES | C1C=C2C3CC(C3)C2=C1 |
| InChIKey | ZKIMCLXHVUQTBB-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Methanopentalene, 1,2,3,5-tetrahydro-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Methanopentalene, 1,2,3,5-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Methanopentalene, 1,2,3,5-tetrahydro- 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 1,3-Methanopentalene, 1,2,3,5-tetrahydro- is 128600-88-4.
The molecular formula of 1,3-Methanopentalene, 1,2,3,5-tetrahydro- is C9H10.
The molecular weight of 1,3-Methanopentalene, 1,2,3,5-tetrahydro- is 118.07825 g/mol.
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