TL;DR: 2-Methoxy-6-methylcyclohex-2-ene-1,4-dione (CAS 152949-42-3) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-6-methylcyclohex-2-ene-1,4-dione
Also Known As: 2-methoxy-6-methylcyclohex-2-ene-1,4-dione, 2-Cyclohexene-1,4-dione,2-methoxy-6-methyl-(9CI), 2-methoxy-6-methyl-cyclohex-2-ene-1,4-dione, 2-CYCLOHEXENE-1,4-DIONE, 2-METHOXY-6-METHYL-, 2-Cyclohexene-1,4-dione, 2-methoxy-6-methyl- (9CI)
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.06299 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.06299 Da |
| Heavy Atoms | 11 |
| Complexity | 227.0 |
| SMILES | CC1CC(=O)C=C(C1=O)OC |
| InChIKey | XDHHJKREDREUQY-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-6-methylcyclohex-2-ene-1,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Methoxy-6-methylcyclohex-2-ene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-6-methylcyclohex-2-ene-1,4-dione 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-Methoxy-6-methylcyclohex-2-ene-1,4-dione is 152949-42-3.
The molecular formula of 2-Methoxy-6-methylcyclohex-2-ene-1,4-dione is C8H10O3.
The molecular weight of 2-Methoxy-6-methylcyclohex-2-ene-1,4-dione is 154.06299 g/mol.
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