TL;DR: Methyl (8,9,10-trinorborn-5-en-2-yl) ketone (CAS 5063-03-6) is a chemical compound with molecular formula C9H12O and molecular weight 136.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone
Also Known As: 5-Acetyl-2-norbornene, 2-Acetyl-5-norbornene, 1-(Bicyclo[2.2.1]hept-5-en-2-yl)ethanone, 5-acetylnorbornene, 5-Norbornene-2-acetyl
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H12O |
| Molecular Weight | 136.08882 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.08882 Da |
| Heavy Atoms | 10 |
| Complexity | 193.0 |
| SMILES | CC(=O)C1CC2CC1C=C2 |
| InChIKey | NIMLCWCLVJRPFY-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (8,9,10-trinorborn-5-en-2-yl) ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Methyl (8,9,10-trinorborn-5-en-2-yl) ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (8,9,10-trinorborn-5-en-2-yl) ketone 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 Methyl (8,9,10-trinorborn-5-en-2-yl) ketone is 5063-03-6.
The molecular formula of Methyl (8,9,10-trinorborn-5-en-2-yl) ketone is C9H12O.
The molecular weight of Methyl (8,9,10-trinorborn-5-en-2-yl) ketone is 136.08882 g/mol.
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