t-Butyldimethylvinylethynylperoxide
TL;DR: t-Butyldimethylvinylethynylperoxide (CAS 14906-32-2) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylperoxy-5-methylhex-1-en-3-yne
Also Known As: t-Butyldimethylvinylethynylperoxide, 5-(tert-Butylperoxy)-5-methylhex-1-en-3-yne, 5-t-butylperoxy-5-methyl-1-hexene-3-yne, 5-tert-Butylperoxy-5-methyl-1-hexene-3-yne, 5-tert-butylperoxy-5-methylhex-1-en-3-yne
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 14906-32-2 |
|---|---|
| SMILES | CC(C)(C)OOC(C)(C)C#CC=C |
| InChIKey | NRZBWVAKKOCBFV-UHFFFAOYSA-N |
Product Overview
t-Butyldimethylvinylethynylperoxide (CAS 14906-32-2), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 5-tert-butylperoxy-5-methylhex-1-en-3-yne.
Chemical Property Profile of t-Butyldimethylvinylethynylperoxide
Property Insights of t-Butyldimethylvinylethynylperoxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyldimethylvinylethynylperoxide. With a topological polar surface area (TPSA) of 18.5 Ų, t-Butyldimethylvinylethynylperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, t-Butyldimethylvinylethynylperoxide has 0 hydrogen bond donor(s) and 2 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 t-Butyldimethylvinylethynylperoxide?
The CAS number of t-Butyldimethylvinylethynylperoxide is 14906-32-2.
What is the molecular formula of t-Butyldimethylvinylethynylperoxide?
The molecular formula of t-Butyldimethylvinylethynylperoxide is C11H18O2.
What is the molecular weight of t-Butyldimethylvinylethynylperoxide?
The molecular weight of t-Butyldimethylvinylethynylperoxide is 182.13 g/mol.
Where can I buy t-Butyldimethylvinylethynylperoxide?
You can request a quote for t-Butyldimethylvinylethynylperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyldimethylvinylethynylperoxide?
Yes, KEHONG BIO provides custom synthesis services for t-Butyldimethylvinylethynylperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.