Hydroperoxide, hexyl
TL;DR: Hydroperoxide, hexyl (CAS 4312-76-9) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroperoxyhexane
Also Known As: Hexyl hydroperoxide, Hydroperoxide, hexyl, 1-Hydroperoxyhexane, dioxaoctane, n-hexyl hydroperoxide
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 4312-76-9 |
|---|---|
| SMILES | CCCCCCOO |
| InChIKey | RZICEOJUAFHYFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroperoxide, hexyl (CAS 4312-76-9), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 1-hydroperoxyhexane.
Chemical Property Profile of Hydroperoxide, hexyl
Property Insights of Hydroperoxide, hexyl
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroperoxide, hexyl. With a topological polar surface area (TPSA) of 29.5 Ų, Hydroperoxide, hexyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroperoxide, hexyl has 1 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 Hydroperoxide, hexyl?
The CAS number of Hydroperoxide, hexyl is 4312-76-9.
What is the molecular formula of Hydroperoxide, hexyl?
The molecular formula of Hydroperoxide, hexyl is C6H14O2.
What is the molecular weight of Hydroperoxide, hexyl?
The molecular weight of Hydroperoxide, hexyl is 118.10 g/mol.
Where can I buy Hydroperoxide, hexyl?
You can request a quote for Hydroperoxide, hexyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroperoxide, hexyl?
Yes, KEHONG BIO provides custom synthesis services for Hydroperoxide, hexyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.