TL;DR: Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)- (CAS 16556-55-1) is a chemical compound with molecular formula C17H30O2 and molecular weight 266.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethanone
Also Known As: 4-Acetyl-1-(3-methylbutyloxy)-3,3,5,5-tetramethyl-1-cyclohexene, Ethanone, 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl]-, 1-[2,2,6,6-TETRAMETHYL-4-(3-METHYLBUTOXY)-3-CYCLOHEXEN-1-YL]ETHAN-1-ONE, 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethanone, Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H30O2 |
| Molecular Weight | 266.22458 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.22458 Da |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
| SMILES | CC(C)CCOC1=CC(C(C(C1)(C)C)C(=O)C)(C)C |
| InChIKey | UCXHCWOVLRUIMX-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)- is 16556-55-1.
The molecular formula of Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)- is C17H30O2.
The molecular weight of Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)- is 266.22458 g/mol.
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