TL;DR: Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)- (CAS 124070-94-6) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(1R)-1-(furan-3-yl)-2-oxopropyl]-2,6,6-trimethylcyclohexan-1-one
Also Known As: Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)-, (2R)-2-[(1R)-1-(furan-3-yl)-2-oxopropyl]-2,6,6-trimethylcyclohexan-1-one, 2-[1-(furan-3-yl)-2-oxopropyl]-2,6,6-trimethylcyclohexan-1-one, (2R)-2-[(1S)-1-(3-furyl)-2-oxo-propyl]-2,6,6-trimethyl-cyclohexan-1-one
| Molecular Formula | C16H22O3 |
| Molecular Weight | 262.1569 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1569 Da |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
| SMILES | CC(=O)[C@H](C1=COC=C1)[C@]2(CCCC(C2=O)(C)C)C |
| InChIKey | BXBNJYUJRBNZRR-CZUORRHYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)-. With a topological polar surface area (TPSA) of 47.3 Ų, Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)- 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 Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)- is 124070-94-6.
The molecular formula of Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)- is C16H22O3.
The molecular weight of Cyclohexanone, 2-(1-(3-furanyl)-2-oxopropyl)-2,6,6-trimethyl-, (R*,R*)- is 262.1569 g/mol.
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