Cyclohexylidene hydroperoxide
TL;DR: Cyclohexylidene hydroperoxide (CAS 2699-11-8) is a chemical compound with molecular formula C6H12O4 and molecular weight 148.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dihydroperoxycyclohexane
Also Known As: Cyclohexylidene hydroperoxide, 1,1-dihydroperoxycyclohexane, cyclohexylidenehydroperoxide, Cyclohexylidenedihydroperoxide, Cyclohexylidenebishydroperoxide
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O4 |
| Molecular Weight | 148.07356 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 | 148.07356 Da |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| SMILES | C1CCC(CC1)(OO)OO |
| InChIKey | KYDNMMZJQGVHQM-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexylidene hydroperoxide
Property Insights of Cyclohexylidene hydroperoxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexylidene hydroperoxide. With a topological polar surface area (TPSA) of 58.9 Ų, Cyclohexylidene hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylidene hydroperoxide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclohexylidene hydroperoxide?
The CAS number of Cyclohexylidene hydroperoxide is 2699-11-8.
What is the molecular formula of Cyclohexylidene hydroperoxide?
The molecular formula of Cyclohexylidene hydroperoxide is C6H12O4.
What is the molecular weight of Cyclohexylidene hydroperoxide?
The molecular weight of Cyclohexylidene hydroperoxide is 148.07356 g/mol.
Where can I buy Cyclohexylidene hydroperoxide?
You can request a quote for Cyclohexylidene hydroperoxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexylidene hydroperoxide?
Yes, CoreyChem provides custom synthesis services for Cyclohexylidene hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.