TL;DR: 2,6,6-Trimethyl-2-vinyltetrahydropyran (CAS 13226-34-1) is a chemical compound with molecular formula C10H18O and molecular weight 154.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethenyl-2,6,6-trimethyloxane
Also Known As: LIMETOL, Linaloyl oxide, Bois de rose oxide, 2-ethenyl-2,6,6-trimethyloxane, Geranic_oxide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H18O |
| Molecular Weight | 154.13577 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 Da |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
| SMILES | CC1(CCCC(O1)(C)C=C)C |
| InChIKey | NETOHYFTCONTDT-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,6-Trimethyl-2-vinyltetrahydropyran. With a topological polar surface area (TPSA) of 9.2 Ų, 2,6,6-Trimethyl-2-vinyltetrahydropyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,6-Trimethyl-2-vinyltetrahydropyran 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 2,6,6-Trimethyl-2-vinyltetrahydropyran is 13226-34-1.
The molecular formula of 2,6,6-Trimethyl-2-vinyltetrahydropyran is C10H18O.
The molecular weight of 2,6,6-Trimethyl-2-vinyltetrahydropyran is 154.13577 g/mol.
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