TL;DR: 7-Octenal (CAS 21573-31-9) 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.
oct-7-enal
Also Known As: Oct-7-enal, 7-octenal, 7-Octen-1-al, octa-7-enal, SULOCTIDIL_met038
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
| SMILES | C=CCCCCCC=O |
| InChIKey | LIINGNMKNRSOGW-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Octenal. With a topological polar surface area (TPSA) of 17.1 Ų, 7-Octenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Octenal 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 7-Octenal is 21573-31-9.
The molecular formula of 7-Octenal is C8H14O.
The molecular weight of 7-Octenal is 126.10446 g/mol.
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