TL;DR: 2,7-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one (CAS 1005177-57-0) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
Also Known As: 2,7-dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one, 4,7A-dimethylhexahydro-4,7-epoxyisobenzofuran-1(3H)-one, 2,7-dimethyl-4,10-dioxatricyclo[5.2.1.0<2,6>]decan-3-one, 2,7-dimethyl-4,10-dioxatricyclo[5.2.1.0?,?]decan-3-one, 2,7-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.0943 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.0943 Da |
| Heavy Atoms | 13 |
| Complexity | 288.0 |
| SMILES | CC12CCC(O1)C3(C2COC3=O)C |
| InChIKey | XCGGIKYRQGWLER-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one. With a topological polar surface area (TPSA) of 35.5 Ų, 2,7-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one 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 2,7-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one is 1005177-57-0.
The molecular formula of 2,7-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one is C10H14O3.
The molecular weight of 2,7-Dimethyl-4,10-dioxatricyclo[5.2.1.0~2,6~]decan-3-one is 182.0943 g/mol.
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