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Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl
TL;DR: Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl (CAS 28324-52-9) 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-4,6,6-trimethylbicyclo[3.1.1]heptane
Also Known As: Pinane hydroperoxide, Pinanyl hydroperoxide, Pinan-4-yl hydroperoxide, Hydroperoxide, 2,6,6-trimethylbicyclo(3.1.1)hept-2-yl, 2-hydroperoxy-4,6,6-trimethylbicyclo[3.1.1]heptane
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.4 |
| 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 | 188.0 |
Chemical Identifiers
| CAS Number | 28324-52-9 |
|---|---|
| SMILES | CC1CC(C2CC1C2(C)C)OO |
| InChIKey | ORRVPSGGVIRRTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl (CAS 28324-52-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2-hydroperoxy-4,6,6-trimethylbicyclo[3.1.1]heptane.
Chemical Property Profile of Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl
Property Insights of Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl. With a topological polar surface area (TPSA) of 29.5 Ų, Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl 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, 2,6,6-trimethylbicyclo[3.1.1]heptyl?
The CAS number of Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl is 28324-52-9.
What is the molecular formula of Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl?
The molecular formula of Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl is C10H18O2.
What is the molecular weight of Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl?
The molecular weight of Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl is 170.13 g/mol.
Where can I buy Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl?
You can request a quote for Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl?
Yes, KEHONG BIO provides custom synthesis services for Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]heptyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.