TL;DR: 2,2,5-Trimethyl-5-P-tolyl-tetrahydro-furan (CAS 100643-80-9) is a chemical compound with molecular formula C14H20O and molecular weight 204.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,5-trimethyl-5-(4-methylphenyl)oxolane
Also Known As: 2,2,5-TRIMETHYL-5-P-TOLYL-TETRAHYDRO-FURAN, 2,2,5-trimethyl-5-(4-methylphenyl)oxolane, 2,2,5-Trimethyl-5-(p-tolyl)tetrahydrofuran
| Molecular Formula | C14H20O |
| Molecular Weight | 204.15141 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.15141 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | CC1=CC=C(C=C1)C2(CCC(O2)(C)C)C |
| InChIKey | ZWDJFILLTDNMRT-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2,2,5-Trimethyl-5-P-tolyl-tetrahydro-furan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2,2,5-Trimethyl-5-P-tolyl-tetrahydro-furan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethyl-5-P-tolyl-tetrahydro-furan 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 2,2,5-Trimethyl-5-P-tolyl-tetrahydro-furan is 100643-80-9.
The molecular formula of 2,2,5-Trimethyl-5-P-tolyl-tetrahydro-furan is C14H20O.
The molecular weight of 2,2,5-Trimethyl-5-P-tolyl-tetrahydro-furan is 204.15141 g/mol.
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