tert-Butyl isononaneperoxoate
TL;DR: tert-Butyl isononaneperoxoate (CAS 27836-52-8) is a chemical compound with molecular formula C13H26O3 and molecular weight 230.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 7-methyloctaneperoxoate
Also Known As: tert-Butyl isononaneperoxoate, t-butyl peroxyisononanoate, tert-butyl 7-methyloctaneperoxoate, EINECS 248-684-1
| Molecular Formula | C13H26O3 |
|---|---|
| Molecular Weight | 230.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.1882 |
| Heavy Atoms | 16 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 27836-52-8 |
|---|---|
| SMILES | CC(C)CCCCCC(=O)OOC(C)(C)C |
| InChIKey | ZUSDEBDNDIJDMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl isononaneperoxoate (CAS 27836-52-8), with molecular formula C13H26O3 and molecular weight 230.19 g/mol. IUPAC: tert-butyl 7-methyloctaneperoxoate.
Chemical Property Profile of tert-Butyl isononaneperoxoate
Property Insights of tert-Butyl isononaneperoxoate
The XLogP value of 4.4 indicates that tert-Butyl isononaneperoxoate 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 isononaneperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl isononaneperoxoate 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
Frequently Asked Questions
What is the CAS number of tert-Butyl isononaneperoxoate?
The CAS number of tert-Butyl isononaneperoxoate is 27836-52-8.
What is the molecular formula of tert-Butyl isononaneperoxoate?
The molecular formula of tert-Butyl isononaneperoxoate is C13H26O3.
What is the molecular weight of tert-Butyl isononaneperoxoate?
The molecular weight of tert-Butyl isononaneperoxoate is 230.19 g/mol.
Where can I buy tert-Butyl isononaneperoxoate?
You can request a quote for tert-Butyl isononaneperoxoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl isononaneperoxoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl isononaneperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.