TL;DR: 3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one (CAS 148077-12-7) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one
Also Known As: Appenolide C
| Molecular Formula | C14H22O3 |
| Molecular Weight | 238.15689 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.15689 Da |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
| SMILES | CCC(CCCCC=CC1=C(C(=O)OC1)C)O |
| InChIKey | KUWMUXMJJXXEDL-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one has 1 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 3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one is 148077-12-7.
The molecular formula of 3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one is C14H22O3.
The molecular weight of 3-(7-hydroxynon-1-enyl)-4-methyl-2H-furan-5-one is 238.15689 g/mol.
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