1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)
TL;DR: 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) (CAS 29089-67-6) is a chemical compound with molecular formula C26H50O6 and molecular weight 458.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dimethyl-5-(7-methyloctanoylperoxy)hexan-2-yl] 7-methyloctaneperoxoate
Also Known As: 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate), 2,5-dimethylhexane-2,5-diyl bis(7-methyloctaneperoxoate), Isononaneperoxoic acid,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester, [2,5-dimethyl-5-(7-methyloctanoylperoxy)hexan-2-yl] 7-methyloctaneperoxoate, 249-417-1
| Molecular Formula | C26H50O6 |
|---|---|
| Molecular Weight | 458.36 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 458.36075 |
| Heavy Atoms | 32 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 29089-67-6 |
|---|---|
| SMILES | CC(C)CCCCCC(=O)OOC(C)(C)CCC(C)(C)OOC(=O)CCCCCC(C)C |
| InChIKey | YFCKFSHPDAWAAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) (CAS 29089-67-6), with molecular formula C26H50O6 and molecular weight 458.36 g/mol. IUPAC: [2,5-dimethyl-5-(7-methyloctanoylperoxy)hexan-2-yl] 7-methyloctaneperoxoate.
Chemical Property Profile of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)
Property Insights of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)
The XLogP value of 8.5 indicates that 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate). Following Lipinski's Rule of Five, 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)?
The CAS number of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) is 29089-67-6.
What is the molecular formula of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)?
The molecular formula of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) is C26H50O6.
What is the molecular weight of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)?
The molecular weight of 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) is 458.36 g/mol.
Where can I buy 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)?
You can request a quote for 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate)?
Yes, KEHONG BIO provides custom synthesis services for 1,1,4,4-Tetramethylbutane-1,4-diyl bis(isononaneperoxoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.