TL;DR: 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate (CAS 142381-76-8) is a chemical compound with molecular formula C5H20O7 and molecular weight 192.1209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrahydrate
Also Known As: 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate, 2- -2-methyl-propane-1,3-dioltetrahydrate, 2-(hydroxymethyl)-2-methyl-propane-1,3-diol tetrahydrate, 2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrahydrate, 1,3-Propanediol,2-(hydroxymethyl)-2-methyl-, hydrate (1:4)
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H20O7 |
| Molecular Weight | 192.1209 g/mol |
| XLogP | -4.3292 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.1209 Da |
| Heavy Atoms | 12 |
| Complexity | 50.0 |
| SMILES | CC(CO)(CO)CO.O.O.O.O |
| InChIKey | LEHRMCOOEVWCNU-UHFFFAOYSA-N |
The XLogP value of -4.3292 indicates that 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate. Following Lipinski's Rule of Five, 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate is 142381-76-8.
The molecular formula of 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate is C5H20O7.
The molecular weight of 2-Hydroxymethyl-2-methyl-1,3-propanediol tetrahydrate is 192.1209 g/mol.
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