TL;DR: 1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)- (CAS 63980-38-1) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hexan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanol
Also Known As: 1-Triazene,1,3-diethyl-, 2-Methyl-2-(methylpentyl)-1,3-dioxolane-4-methanol, (2-hexan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanol, 1,3-DIOXOLANE-4-METHANOL, 2-METHYL-2-(METHYLPENTYL)-, [2-(Hexan-2-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
| Molecular Formula | C11H22O3 |
| Molecular Weight | 202.15689 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.15689 Da |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
| SMILES | CCCCC(C)C1(OCC(O1)CO)C |
| InChIKey | HADGDWQOEKNXOZ-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)-. With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)- is 63980-38-1.
The molecular formula of 1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)- is C11H22O3.
The molecular weight of 1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)- is 202.15689 g/mol.
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