TL;DR: 6,6-Dimethyl-3,4-undecadiene-2,10-dione (CAS 52588-78-0) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,6-dimethylundeca-3,4-diene-2,10-dione
Also Known As: 6,6-DIMETHYL-3,4-UNDECADIENE-2,10-DIONE, 6,6-dimethylundeca-3,4-diene-2,10-dione, 3,4-Undecadiene-2,10-dione, 6,6-dimethyl-, 3,4-Undecadiene-2,10-dione,6,6-dimethyl, 6,6-Dimethyl-3,4-undecadiene-2,10-dione #
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.14633 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.14633 Da |
| Heavy Atoms | 15 |
| Complexity | 292.0 |
| SMILES | CC(=O)CCCC(C)(C)C=C=CC(=O)C |
| InChIKey | ZJUAUNQHNSLJQO-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-3,4-undecadiene-2,10-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 6,6-Dimethyl-3,4-undecadiene-2,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethyl-3,4-undecadiene-2,10-dione 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 6,6-Dimethyl-3,4-undecadiene-2,10-dione is 52588-78-0.
The molecular formula of 6,6-Dimethyl-3,4-undecadiene-2,10-dione is C13H20O2.
The molecular weight of 6,6-Dimethyl-3,4-undecadiene-2,10-dione is 208.14633 g/mol.
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