TL;DR: 4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one (CAS 148077-10-5) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one
Also Known As: Appenolide A
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.14125 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 236.14125 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | CC1=C(COC1=O)C=CCCCCCC(=O)C |
| InChIKey | LYDASAJHAHFJTL-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one. With a topological polar surface area (TPSA) of 43.4 Ų, 4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one is 148077-10-5.
The molecular formula of 4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one is C14H20O3.
The molecular weight of 4-methyl-3-(8-oxonon-1-enyl)-2H-furan-5-one is 236.14125 g/mol.
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