Neodecaneperoxoic acid, 1,1-dimethylpropyl ester
TL;DR: Neodecaneperoxoic acid, 1,1-dimethylpropyl ester (CAS 68299-16-1) is a chemical compound with molecular formula C15H30O3 and molecular weight 258.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-yl 7,7-dimethyloctaneperoxoate
Also Known As: tert-Amyl peroxyneodecanoate, t-amyl peroxyneodecanoate, tert-Pentyl peroxyneodecanoate, t-Amyl OMS Peroxyneodecanoate, 2-methylbutan-2-yl 7,7-dimethyloctaneperoxoate
| Molecular Formula | C15H30O3 |
|---|---|
| Molecular Weight | 258.22 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.21948 |
| Heavy Atoms | 18 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 68299-16-1 |
|---|---|
| SMILES | CCC(C)(C)OOC(=O)CCCCCC(C)(C)C |
| InChIKey | ZIDNXYVJSYJXPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neodecaneperoxoic acid, 1,1-dimethylpropyl ester (CAS 68299-16-1), with molecular formula C15H30O3 and molecular weight 258.22 g/mol. IUPAC: 2-methylbutan-2-yl 7,7-dimethyloctaneperoxoate.
Chemical Property Profile of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester
Property Insights of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester
The XLogP value of 5.3 indicates that Neodecaneperoxoic acid, 1,1-dimethylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Neodecaneperoxoic acid, 1,1-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neodecaneperoxoic acid, 1,1-dimethylpropyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester?
The CAS number of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester is 68299-16-1.
What is the molecular formula of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester?
The molecular formula of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester is C15H30O3.
What is the molecular weight of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester?
The molecular weight of Neodecaneperoxoic acid, 1,1-dimethylpropyl ester is 258.22 g/mol.
Where can I buy Neodecaneperoxoic acid, 1,1-dimethylpropyl ester?
You can request a quote for Neodecaneperoxoic acid, 1,1-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neodecaneperoxoic acid, 1,1-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Neodecaneperoxoic acid, 1,1-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.