TL;DR: 1,7,7-Trimethyl-2-norbornanone dimethyl ketal (CAS 128525-51-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
Also Known As: camphor dimethyl acetal, 2,2-Dimethoxy-1,7,7-trimethyl-norbornane, 1,7,7-Trimethyl-2-norbornanone dimethyl ketal, J2.632.005D, 2,2-dimethoxy-1,7,7-trimethylbicyclo(2.2.1)heptane
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
| SMILES | CC1(C2CCC1(C(C2)(OC)OC)C)C |
| InChIKey | RRCYFCPKYNYACP-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7,7-Trimethyl-2-norbornanone dimethyl ketal. With a topological polar surface area (TPSA) of 18.5 Ų, 1,7,7-Trimethyl-2-norbornanone dimethyl ketal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7,7-Trimethyl-2-norbornanone dimethyl ketal 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 1,7,7-Trimethyl-2-norbornanone dimethyl ketal is 128525-51-9.
The molecular formula of 1,7,7-Trimethyl-2-norbornanone dimethyl ketal is C12H22O2.
The molecular weight of 1,7,7-Trimethyl-2-norbornanone dimethyl ketal is 198.16199 g/mol.
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