6-Hydroxy-6-methyl-2-heptanone
TL;DR: 6-Hydroxy-6-methyl-2-heptanone (CAS 5077-57-6) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-6-methylheptan-2-one
Also Known As: 6-Hydroxy-6-methylheptan-2-one, 6-Hydroxy-6-methyl-2-heptanone, 2-Heptanone, 6-hydroxy-6-methyl-, 2-Heptanone,6-hydroxy-6-methyl-, 2-methyl-heptan-2-ol-6-one
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| SMILES | CC(=O)CCCC(C)(C)O |
| InChIKey | BDKJAPPUGXLAHC-UHFFFAOYSA-N |
Chemical Property Profile of 6-Hydroxy-6-methyl-2-heptanone
Property Insights of 6-Hydroxy-6-methyl-2-heptanone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-6-methyl-2-heptanone. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Hydroxy-6-methyl-2-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxy-6-methyl-2-heptanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Hydroxy-6-methyl-2-heptanone?
The CAS number of 6-Hydroxy-6-methyl-2-heptanone is 5077-57-6.
What is the molecular formula of 6-Hydroxy-6-methyl-2-heptanone?
The molecular formula of 6-Hydroxy-6-methyl-2-heptanone is C8H16O2.
What is the molecular weight of 6-Hydroxy-6-methyl-2-heptanone?
The molecular weight of 6-Hydroxy-6-methyl-2-heptanone is 144.11504 g/mol.
Where can I buy 6-Hydroxy-6-methyl-2-heptanone?
You can request a quote for 6-Hydroxy-6-methyl-2-heptanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Hydroxy-6-methyl-2-heptanone?
Yes, CoreyChem provides custom synthesis services for 6-Hydroxy-6-methyl-2-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.