TL;DR: 2-Methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone (CAS 131221-81-3) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone, J2.221.029G, 2-Methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinone, 2-methyl-6-(3-methylbut-2-enyl)-1,4-benzoquinone, 2,5-Cyclohexadiene-1,4-dione, 2-methyl-6-(3-methyl-2-butenyl)-
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.09938 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.09938 Da |
| Heavy Atoms | 14 |
| Complexity | 364.0 |
| SMILES | CC1=CC(=O)C=C(C1=O)CC=C(C)C |
| InChIKey | JYVIPMPFQGQYKW-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone 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 2-Methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone is 131221-81-3.
The molecular formula of 2-Methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone is C12H14O2.
The molecular weight of 2-Methyl-6-(3-methyl-2-butenyl)benzo-1,4-quinone is 190.09938 g/mol.
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