TL;DR: (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one (CAS 159972-60-8) is a chemical compound with molecular formula C19H26O2 and molecular weight 286.19327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one
Also Known As: BAS 00293112, (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one, 8-(4-Methoxy-2,3,6-trimethyl-phenyl)-6-methyl-octa-3,5-dien-2-one, "NCGC00160259-01!8-(4-Methoxy-2,3,6-trimethyl-phenyl)-6-methyl-octa-3,5-dien-2-one"
| Molecular Formula | C19H26O2 |
| Molecular Weight | 286.19327 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.19327 Da |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
| SMILES | CC1=CC(=C(C(=C1CC/C(=C/C=C/C(=O)C)/C)C)C)OC |
| InChIKey | ADLAXAQVHBFING-AVPQAVFTSA-N |
The XLogP value of 5.0 indicates that (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one 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 (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one is 159972-60-8.
The molecular formula of (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one is C19H26O2.
The molecular weight of (3E,5E)-8-(4-methoxy-2,3,6-trimethylphenyl)-6-methylocta-3,5-dien-2-one is 286.19327 g/mol.
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