TL;DR: 8,8,9-Trimethyl-deca-3,5-diene-2,7-dione (CAS 1462957-96-5) 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.
(3E,5E)-8,8,9-trimethyldeca-3,5-diene-2,7-dione
Also Known As: 8,8,9-Trimethyl-deca-3,5-diene-2,7-dione, 3,5-Decadiene-2,7-dione, 8,8,9-trimethyl-, (3E,5E)-8,8,9-trimethyldeca-3,5-diene-2,7-dione, (3E,5E)-8,8,9-Trimethyl-3,5-decadiene-2,7-dione #
| Molecular Formula | C13H20O2 |
| Molecular Weight | 208.14633 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.14633 Da |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
| SMILES | CC(C)C(C)(C)C(=O)/C=C/C=C/C(=O)C |
| InChIKey | ZKHZYORAVREEHU-CDJQDVQCSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8,9-Trimethyl-deca-3,5-diene-2,7-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 8,8,9-Trimethyl-deca-3,5-diene-2,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,8,9-Trimethyl-deca-3,5-diene-2,7-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 8,8,9-Trimethyl-deca-3,5-diene-2,7-dione is 1462957-96-5.
The molecular formula of 8,8,9-Trimethyl-deca-3,5-diene-2,7-dione is C13H20O2.
The molecular weight of 8,8,9-Trimethyl-deca-3,5-diene-2,7-dione is 208.14633 g/mol.
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