TL;DR: 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro- (CAS 112533-27-4) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexacyclo[6.6.0.02,6.03,13.04,11.05,9]tetradecane-10,14-dione
Also Known As: J1.082.350A, 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro-, 4,1,3-Ethanediylidenecyclopenta[cd,gh]pentalene-6,7(1H)-dione, decahydro-, 3,6,12-Methenotetracyclo[8.2.1.04,8.07,11]tridecane-2,9-dione, hexacyclo[6.6.0.02,6.03,13.04,11.05,9]tetradecane-10,14-dione
| Molecular Formula | C14H14O2 |
| Molecular Weight | 214.09938 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.09938 Da |
| Heavy Atoms | 16 |
| Complexity | 441.0 |
| SMILES | C1C2C3C4C5CC6C4C2C(C1C3C5=O)C6=O |
| InChIKey | QQZUYDRWCOEIBP-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro-. With a topological polar surface area (TPSA) of 34.1 Ų, 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro- 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 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro- is 112533-27-4.
The molecular formula of 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro- is C14H14O2.
The molecular weight of 4,1,3-Ethanediylidenecyclopenta(cd,gh)pentalene-6,7(1H)-dione, decahydro- is 214.09938 g/mol.
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