6-Hydroxy-6-methyl-3-heptanone
TL;DR: 6-Hydroxy-6-methyl-3-heptanone (CAS 123065-56-5) is a chemical compound with molecular formula CCC(=O)CCC(C)(C)O 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-3-one
Also Known As: 6-hydroxy-6-methylheptan-3-one, 6-Hmhn, 6-Hydroxy-6-methyl-3-heptanone, 3-Heptanone, 6-hydroxy-6-methyl-, 6-HYDROXY-6-METHYL-HEPTAN-3-ONE
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CCC(=O)CCC(C)(C)O |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 0.6 |
| 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 | CCC(=O)CCC(C)(C)O |
| InChIKey | FGPMBONEKHYAHO-UHFFFAOYSA-N |
Chemical Property Profile of 6-Hydroxy-6-methyl-3-heptanone
Property Insights of 6-Hydroxy-6-methyl-3-heptanone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-6-methyl-3-heptanone. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Hydroxy-6-methyl-3-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxy-6-methyl-3-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-3-heptanone?
The CAS number of 6-Hydroxy-6-methyl-3-heptanone is 123065-56-5.
What is the molecular formula of 6-Hydroxy-6-methyl-3-heptanone?
The molecular formula of 6-Hydroxy-6-methyl-3-heptanone is CCC(=O)CCC(C)(C)O.
What is the molecular weight of 6-Hydroxy-6-methyl-3-heptanone?
The molecular weight of 6-Hydroxy-6-methyl-3-heptanone is 144.11504 g/mol.
Where can I buy 6-Hydroxy-6-methyl-3-heptanone?
You can request a quote for 6-Hydroxy-6-methyl-3-heptanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Hydroxy-6-methyl-3-heptanone?
Yes, CoreyChem provides custom synthesis services for 6-Hydroxy-6-methyl-3-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.