2-Hydroperoxypentane
TL;DR: 2-Hydroperoxypentane (CAS 14018-58-7) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroperoxypentane
Also Known As: 2-Hydroperoxypentane, Hydroperoxide, 1-methylbutyl, PENTANE-2-PEROXOL, 1-Methylbutyl hydroperoxide, n-C3H7CH(CH3)OOH
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 14018-58-7 |
|---|---|
| SMILES | CCCC(C)OO |
| InChIKey | XRIRVAYMWUMXBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroperoxypentane (CAS 14018-58-7), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 2-hydroperoxypentane.
Chemical Property Profile of 2-Hydroperoxypentane
Property Insights of 2-Hydroperoxypentane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroperoxypentane. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Hydroperoxypentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroperoxypentane 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 2-Hydroperoxypentane?
The CAS number of 2-Hydroperoxypentane is 14018-58-7.
What is the molecular formula of 2-Hydroperoxypentane?
The molecular formula of 2-Hydroperoxypentane is C5H12O2.
What is the molecular weight of 2-Hydroperoxypentane?
The molecular weight of 2-Hydroperoxypentane is 104.08 g/mol.
Where can I buy 2-Hydroperoxypentane?
You can request a quote for 2-Hydroperoxypentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroperoxypentane?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroperoxypentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.