双(3,5,5-三甲基-1-氧代己基)过氧化物
TL;DR: 双(3,5,5-三甲基-1-氧代己基)过氧化物 (CAS 3851-87-4) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(3,5,5-三甲基-1-氧代己基)过氧化物
3,5,5-trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate
Also Known As: 3,5,5-Trimethylhexanoyl peroxide, DTHP, Bis(1-oxo-3,5,5-trimethylhexyl)peroxide, 3,5,5-Trimethylhexanoylperoxide, Peroxide, bis(3,5,5-trimethyl-1-oxohexyl)
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 3851-87-4 |
|---|---|
| SMILES | CC(CC(=O)OOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | KFGFVPMRLOQXNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(3,5,5-三甲基-1-氧代己基)过氧化物 (CAS 3851-87-4), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: 3,5,5-trimethylhexanoyl 3,5,5-trimethylhexaneperoxoate.
Chemical Property Profile of 双(3,5,5-三甲基-1-氧代己基)过氧化物
Property Insights of 双(3,5,5-三甲基-1-氧代己基)过氧化物
The XLogP value of 6.2 indicates that 双(3,5,5-三甲基-1-氧代己基)过氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 双(3,5,5-三甲基-1-氧代己基)过氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(3,5,5-三甲基-1-氧代己基)过氧化物 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双(3,5,5-三甲基-1-氧代己基)过氧化物?
The CAS number of 双(3,5,5-三甲基-1-氧代己基)过氧化物 is 3851-87-4.
What is the molecular formula of 双(3,5,5-三甲基-1-氧代己基)过氧化物?
The molecular formula of 双(3,5,5-三甲基-1-氧代己基)过氧化物 is C18H34O4.
What is the molecular weight of 双(3,5,5-三甲基-1-氧代己基)过氧化物?
The molecular weight of 双(3,5,5-三甲基-1-氧代己基)过氧化物 is 314.25 g/mol.
Where can I buy 双(3,5,5-三甲基-1-氧代己基)过氧化物?
You can request a quote for 双(3,5,5-三甲基-1-氧代己基)过氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(3,5,5-三甲基-1-氧代己基)过氧化物?
Yes, KEHONG BIO provides custom synthesis services for 双(3,5,5-三甲基-1-氧代己基)过氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.