TL;DR: 9,13-Dimethyltetradeca-1,6,9,10-tetraen-5-one (CAS 68738-92-1) is a chemical compound with molecular formula C16H24O and molecular weight 232.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,13-dimethyltetradeca-1,6,9,10-tetraen-5-one
Also Known As: 9,13-Dimethyltetradecatetraen-5-one, Tetradecatetraen-5-one, 9,13-dimethyl-
| Molecular Formula | C16H24O |
| Molecular Weight | 232.18271 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 232.18271 Da |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
| SMILES | CC(C)CC=C=C(C)CC=CC(=O)CCC=C |
| InChIKey | XZEKFERIIWCRFW-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 9,13-Dimethyltetradeca-1,6,9,10-tetraen-5-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, 9,13-Dimethyltetradeca-1,6,9,10-tetraen-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,13-Dimethyltetradeca-1,6,9,10-tetraen-5-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 9,13-Dimethyltetradeca-1,6,9,10-tetraen-5-one is 68738-92-1.
The molecular formula of 9,13-Dimethyltetradeca-1,6,9,10-tetraen-5-one is C16H24O.
The molecular weight of 9,13-Dimethyltetradeca-1,6,9,10-tetraen-5-one is 232.18271 g/mol.
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