tert-Butyl nonaneperoxoate
TL;DR: tert-Butyl nonaneperoxoate (CAS 22913-02-6) is a chemical compound with molecular formula C13H26O3 and molecular weight 230.1882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl nonaneperoxoate
Also Known As: tert-Butyl nonaneperoxoate, tert-Butyl pernonanoate, Tertbutyl perpelargonate, t-Butyl peroxidenonanoate, tert-Butyl perpelargonate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H26O3 |
| Molecular Weight | 230.1882 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.1882 Da |
| Heavy Atoms | 16 |
| Complexity | 182.0 |
| SMILES | CCCCCCCCC(=O)OOC(C)(C)C |
| InChIKey | YSMATABRECEYRJ-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl nonaneperoxoate
Property Insights of tert-Butyl nonaneperoxoate
The XLogP value of 4.7 indicates that tert-Butyl nonaneperoxoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl nonaneperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl nonaneperoxoate has 0 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 tert-Butyl nonaneperoxoate?
The CAS number of tert-Butyl nonaneperoxoate is 22913-02-6.
What is the molecular formula of tert-Butyl nonaneperoxoate?
The molecular formula of tert-Butyl nonaneperoxoate is C13H26O3.
What is the molecular weight of tert-Butyl nonaneperoxoate?
The molecular weight of tert-Butyl nonaneperoxoate is 230.1882 g/mol.
Where can I buy tert-Butyl nonaneperoxoate?
You can request a quote for tert-Butyl nonaneperoxoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl nonaneperoxoate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl nonaneperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.