TL;DR: Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?) (CAS 68201-82-1) is a chemical compound with molecular formula C11H26O2 and molecular weight 190.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methane;3,5,5-trimethylhexanoic acid
Also Known As: 3,5,5-trimethylhexanoic acid- methane(1:2), methane; 3,5,5-trimethylhexanoic acid, 3,5,5-Trimethylhexanoic acid, iron(2+) iron(3+) salt, Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt, Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?)
| Molecular Formula | C11H26O2 |
| Molecular Weight | 190.19328 g/mol |
| XLogP | 3.81 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.19328 Da |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
| SMILES | C.C.CC(CC(=O)O)CC(C)(C)C |
| InChIKey | USXHQLPNVRKLJI-UHFFFAOYSA-N |
The XLogP value of 3.81 indicates that Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?) has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?) is 68201-82-1.
The molecular formula of Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?) is C11H26O2.
The molecular weight of Hexanoic acid, 3,5,5-trimethyl-, iron(2+) iron(3+) salt (1:?:?) is 190.19328 g/mol.
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