TL;DR: 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- (CAS 121951-00-6) is a chemical compound with molecular formula C10H16 and molecular weight 136.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylocta-1,3,5-triene
Also Known As: 2,6-dimethyloctatriene, 2,6-dimethylocta-1,3,5-triene, 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-, 1,3,5-Octatriene,2,6-dimethyl-,(3Z,5E)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H16 |
| Molecular Weight | 136.1252 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.1252 Da |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
| SMILES | CCC(=CC=CC(=C)C)C |
| InChIKey | NVQRIRLJPCDULK-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is 121951-00-6.
The molecular formula of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is C10H16.
The molecular weight of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is 136.1252 g/mol.
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