TL;DR: 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)- (CAS 1417202-38-0) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
Also Known As: 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)-, (1,4-Dioxaspiro[4.4]nonane-7,8-diyl)dimethanol, [3-(hydroxymethyl)-6,9-dioxaspiro[4.4]nonan-2-yl]methanol
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.10486 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | C1COC2(O1)CC(C(C2)CO)CO |
| InChIKey | VEAUZHKVSJXEPT-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)- is 1417202-38-0.
The molecular formula of 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)- is C9H16O4.
The molecular weight of 1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)- is 188.10486 g/mol.
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