TL;DR: 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone (CAS 66472-04-6) is a chemical compound with molecular formula C15H24O4 and molecular weight 268.16745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(furan-3-yl)-6,7-dihydroxy-4,8-dimethylnonan-1-one
Also Known As: Dihydro-7-hydroxymyoporone, 1-(furan-3-yl)-6,7-dihydroxy-4,8-dimethylnonan-1-one, 6,7-Dihydroxy-4,8-dimethyl-1-(3-furyl)-1-nonanone, 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone, 1-Furan-3-yl-6,7-dihydroxy-4,8-dimethylnonan-1-one
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.16745 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.16745 Da |
| Heavy Atoms | 19 |
| Complexity | 277.0 |
| Melting Point | 70 - 71 °C |
| SMILES | CC(C)C(C(CC(C)CCC(=O)C1=COC=C1)O)O |
| InChIKey | PRLJTIPWGNRUNG-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone. Following Lipinski's Rule of Five, 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is 66472-04-6.
The molecular formula of 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is C15H24O4.
The molecular weight of 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is 268.16745 g/mol.
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