5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one
TL;DR: 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one (CAS 131523-78-9) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-5-(2-phenylpropan-2-ylperoxy)hex-3-yn-2-one
Also Known As: 5-methyl-5-(2-phenylpropan-2-ylperoxy)hex-3-yn-2-one, 5-methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one, 5-methyl-5-[(2-phenylpropan-2-yl)peroxy]hex-3-yn-2-one
Technical Specifications
| Molecular Formula | C16H20O3 |
| Molecular Weight | 260.14124 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.14124 Da |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
| SMILES | CC(=O)C#CC(C)(C)OOC(C)(C)C1=CC=CC=C1 |
| InChIKey | YLFBELNBDXQPAF-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one
Property Insights of 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one 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 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one?
The CAS number of 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one is 131523-78-9.
What is the molecular formula of 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one?
The molecular formula of 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one is C16H20O3.
What is the molecular weight of 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one?
The molecular weight of 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one is 260.14124 g/mol.
Where can I buy 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one?
You can request a quote for 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-5-((2-phenylpropan-2-yl)peroxy)hex-3-yn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.