TL;DR: 6,10-Dimethyl-4,5,9-undecatrien-2-one (CAS 16647-05-5) is a chemical compound with molecular formula C13H20O and molecular weight 192.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,10-dimethylundeca-4,5,9-trien-2-one
Also Known As: 6,10-Dimethyl-4,5,9-undecatrien-2-one, 6,10-dimethylundeca-4,5,9-trien-2-one, 6,10-dimethyl-undeca-4,5,9-trien-2-one, 6,10-dimethyl-undeca-4,5,9-triene-2-one, 6,10-dimethyl-undeca -4,5,9-triene-2-one
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H20O |
| Molecular Weight | 192.15141 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.15141 Da |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
| SMILES | CC(=CCCC(=C=CCC(=O)C)C)C |
| InChIKey | KLTSFSBBACTSHL-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 6,10-Dimethyl-4,5,9-undecatrien-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 6,10-Dimethyl-4,5,9-undecatrien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,10-Dimethyl-4,5,9-undecatrien-2-one 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 6,10-Dimethyl-4,5,9-undecatrien-2-one is 16647-05-5.
The molecular formula of 6,10-Dimethyl-4,5,9-undecatrien-2-one is C13H20O.
The molecular weight of 6,10-Dimethyl-4,5,9-undecatrien-2-one is 192.15141 g/mol.
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