TL;DR: 2,7-Octadien-1-ol (CAS 23578-51-0) is a chemical compound with molecular formula C8H14O and molecular weight 126.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octa-2,7-dien-1-ol
Also Known As: 2,7-Octadienol, Octa-2,7-dien-1-ol, 2,7-OCTADIEN-1-OL, 2,7-octanedienol, 1-Octa-2,7-dienol
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| SMILES | C=CCCCC=CCO |
| InChIKey | YHYGSIBXYYKYFB-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Octadien-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,7-Octadien-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Octadien-1-ol has 1 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 2,7-Octadien-1-ol is 23578-51-0.
The molecular formula of 2,7-Octadien-1-ol is C8H14O.
The molecular weight of 2,7-Octadien-1-ol is 126.10446 g/mol.
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