TL;DR: Spiro[3.3]heptane-2,6-dimethanol (CAS 138515-21-6) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(hydroxymethyl)spiro[3.3]heptan-6-yl]methanol
Also Known As: Spiro[3.3]heptane-2,6-dimethanol, Spiro[3.3]heptane-2,6-diyldimethanol, (6-Hydroxymethyl-spiro[3.3]hept-2-yl)-methanol, [6-(hydroxymethyl)spiro[3.3]heptan-2-yl]methanol, 6-(Hydroxymethyl)spiro3.3heptan-2-ylmethanol
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.11504 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.11504 Da |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
| SMILES | C1C(CC12CC(C2)CO)CO |
| InChIKey | GVMMXAXVDLYFLO-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[3.3]heptane-2,6-dimethanol. With a topological polar surface area (TPSA) of 40.5 Ų, Spiro[3.3]heptane-2,6-dimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[3.3]heptane-2,6-dimethanol has 2 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 Spiro[3.3]heptane-2,6-dimethanol is 138515-21-6.
The molecular formula of Spiro[3.3]heptane-2,6-dimethanol is C9H16O2.
The molecular weight of Spiro[3.3]heptane-2,6-dimethanol is 156.11504 g/mol.
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