TL;DR: 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene (CAS 60526-81-0) is a chemical compound with molecular formula C17H28O2 and molecular weight 264.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethoxy-5-(2-methyloctan-2-yl)benzene
Also Known As: 1,3-dimethoxy-5-(2-methyloctan-2-yl)benzene, 1-(1,1-Dimethylheptyl)-3,5-dimethoxybenzene, H-LYS-NH2dihydrochloride, 1- -35-DIMETHOXYBEN&, KST-1B6327
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H28O2 |
| Molecular Weight | 264.20892 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.20892 Da |
| Heavy Atoms | 19 |
| Complexity | 225.0 |
| SMILES | CCCCCCC(C)(C)C1=CC(=CC(=C1)OC)OC |
| InChIKey | MYYOUJBZUGHFNX-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene is 60526-81-0.
The molecular formula of 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene is C17H28O2.
The molecular weight of 1,3-Dimethoxy-5-(2-methyloctan-2-yl)benzene is 264.20892 g/mol.
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