Pinanylhydroperoxide
TL;DR: Pinanylhydroperoxide (CAS 6157-41-1) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
Also Known As: pinanylhydroperoxide, Pinanhydroperoxid, Pinanehydroperoxide, 2-Hydroperoxypinane, Pinan-2-yl hydroperoxide
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 6157-41-1 |
|---|---|
| SMILES | CC1(C2CCC(C1C2)(C)OO)C |
| InChIKey | QMQTYHMGPDPPPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pinanylhydroperoxide (CAS 6157-41-1), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane.
Chemical Property Profile of Pinanylhydroperoxide
Property Insights of Pinanylhydroperoxide
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinanylhydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, Pinanylhydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pinanylhydroperoxide 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 Pinanylhydroperoxide?
The CAS number of Pinanylhydroperoxide is 6157-41-1.
What is the molecular formula of Pinanylhydroperoxide?
The molecular formula of Pinanylhydroperoxide is C10H18O2.
What is the molecular weight of Pinanylhydroperoxide?
The molecular weight of Pinanylhydroperoxide is 170.13 g/mol.
Where can I buy Pinanylhydroperoxide?
You can request a quote for Pinanylhydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinanylhydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for Pinanylhydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.