TL;DR: 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS 63960-06-5) is a chemical compound with molecular formula C14H24O and molecular weight 208.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-ditert-butyl-4-methyl-4H-pyran
Also Known As: 2,6-di-tert-butyl-4-methyl-4h-pyran, 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl-, 2,6-ditert-butyl-4-methyl-4H-pyran, J1.607.044K
| Molecular Formula | C14H24O |
| Molecular Weight | 208.18271 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.18271 Da |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
| SMILES | CC1C=C(OC(=C1)C(C)(C)C)C(C)(C)C |
| InChIKey | LKHUJYMYGPBYGK-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl- is 63960-06-5.
The molecular formula of 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl- is C14H24O.
The molecular weight of 4H-Pyran, 2,6-bis(1,1-dimethylethyl)-4-methyl- is 208.18271 g/mol.
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