TL;DR: 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione (CAS 314766-20-6) is a chemical compound with molecular formula C19H28O6 and molecular weight 352.1886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione, AN-329/07014061, 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[2,3-dihydroxy-1-(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)propyl]-5,5 -dimethylcyclohexane-1,3-dione
| Molecular Formula | C19H28O6 |
| Molecular Weight | 352.1886 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1886 Da |
| Heavy Atoms | 25 |
| Complexity | 608.0 |
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=C(CC(CC2=O)(C)C)O)C(CO)O)C |
| InChIKey | FWHOAFPFQCIKGL-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione is 314766-20-6.
The molecular formula of 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione is C19H28O6.
The molecular weight of 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione is 352.1886 g/mol.
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