TL;DR: (3Z)-5,5,8-trimethylnona-3,7-dien-2-one (CAS 124574-78-3) is a chemical compound with molecular formula C12H20O and molecular weight 180.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z)-5,5,8-trimethylnona-3,7-dien-2-one
Also Known As: (3Z)-5,5,8-trimethylnona-3,7-dien-2-one, 3,7-nonadien-2-one, 5,5,8-trimethyl-, (3Z)-
| Molecular Formula | C12H20O |
| Molecular Weight | 180.15141 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.15141 Da |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
| SMILES | CC(=CCC(C)(C)/C=C\C(=O)C)C |
| InChIKey | DGGSFVWCYRBAHV-CLFYSBASSA-N |
The XLogP value of 3.5 indicates that (3Z)-5,5,8-trimethylnona-3,7-dien-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, (3Z)-5,5,8-trimethylnona-3,7-dien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-5,5,8-trimethylnona-3,7-dien-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 (3Z)-5,5,8-trimethylnona-3,7-dien-2-one is 124574-78-3.
The molecular formula of (3Z)-5,5,8-trimethylnona-3,7-dien-2-one is C12H20O.
The molecular weight of (3Z)-5,5,8-trimethylnona-3,7-dien-2-one is 180.15141 g/mol.
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