TL;DR: 2,6-Dimethyloctane (CAS 2051-30-1) is a chemical compound with molecular formula C10H22 and molecular weight 142.17215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethyloctane
Also Known As: 2,6-DIMETHYLOCTANE, Octane, 2,6-dimethyl-, Myrcane, dimethyloctane, Octane,6-dimethyl-
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H22 |
| Molecular Weight | 142.17215 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.17215 Da |
| Heavy Atoms | 10 |
| Complexity | 64.0 |
| SMILES | CCC(C)CCCC(C)C |
| InChIKey | ZALHPSXXQIPKTQ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 2,6-Dimethyloctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,6-Dimethyloctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyloctane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,6-Dimethyloctane is 2051-30-1.
The molecular formula of 2,6-Dimethyloctane is C10H22.
The molecular weight of 2,6-Dimethyloctane is 142.17215 g/mol.
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