2,5-Dihydroperoxy-2,5-dimethylhex-3-yne
TL;DR: 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne (CAS 70833-41-9) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroperoxy-2,5-dimethylhex-3-yne
Also Known As: 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne, 2,5-dihydroperoxy-2,5-dimethyl-3-hexyne, 2,5-dimethyl-2,5-dihydroperoxy-3-hexyne, 2,5-dimethyl-2,5-dihydroperoxyhex-3-yne, 2,5-DIMETHYLHEX-3-YNE-2,5-DIPEROXOL
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 70833-41-9 |
|---|---|
| SMILES | CC(C)(C#CC(C)(C)OO)OO |
| InChIKey | VHRZZWMONXYKJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dihydroperoxy-2,5-dimethylhex-3-yne (CAS 70833-41-9), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2,5-dihydroperoxy-2,5-dimethylhex-3-yne.
Chemical Property Profile of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne
Property Insights of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne. With a topological polar surface area (TPSA) of 58.9 Ų, 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne has 2 hydrogen bond donor(s) and 4 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 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne?
The CAS number of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne is 70833-41-9.
What is the molecular formula of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne?
The molecular formula of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne is C8H14O4.
What is the molecular weight of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne?
The molecular weight of 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne is 174.09 g/mol.
Where can I buy 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne?
You can request a quote for 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydroperoxy-2,5-dimethylhex-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.