TL;DR: 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one (CAS 103963-35-5) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
Also Known As: Isoseiridin, 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one, 4-[(5r)-5-hydroxyheptyl]-3-methylfuran-2(5h)-one, 4-[(R)-5-Hydroxyheptyl]-3-methyl-2(5H)-furanone, 4-(5-Hydroxyheptyl)-3-methylfuran-2(5H)-one
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.14125 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.14125 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | CC[C@H](CCCCC1=C(C(=O)OC1)C)O |
| InChIKey | RRJPBACYMZWMBB-LLVKDONJSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5R)-5-hydroxyheptyl]-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-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one is 103963-35-5.
The molecular formula of 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one is C12H20O3.
The molecular weight of 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one is 212.14125 g/mol.
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