![2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one structure](/static/products/1048/104851-01-6.webp)
2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one
TL;DR: 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one (CAS 104851-01-6) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-hydroxypropan-2-yl)-1-methyl-2-oxabicyclo[3.3.1]nonan-3-one
Also Known As: 2-(2-hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one, 6-(1-hydroxy-isopropyl)-1-methyl-2-oxabicyclo[3.3.1]nonan-3-one
Technical Specifications
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.14125 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.14125 Da |
| Heavy Atoms | 15 |
| Complexity | 285.0 |
| SMILES | CC12CCC(C(C1)CC(=O)O2)C(C)(C)O |
| InChIKey | UCNVHUDEDNIHNJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one
Property Insights of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one?
The CAS number of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one is 104851-01-6.
What is the molecular formula of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one?
The molecular formula of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one is C12H20O3.
What is the molecular weight of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one?
The molecular weight of 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one is 212.14125 g/mol.
Where can I buy 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one?
You can request a quote for 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one?
Yes, CoreyChem provides custom synthesis services for 2-(2-Hydroxypropan-2-yl)-5-methyl-6-oxabicyclo[3.3.1]nonan-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.