![1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol structure](/static/products/9976/99765-58-9.webp)
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
TL;DR: 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol (CAS 99765-58-9) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
Also Known As: 1,8-Epoxy-p-menthane-2,4-diol, 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol, (1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol, J2.371.416G, 2-Oxabicyclo(2.2.2)octane-4,6-diol, 1,3,3-trimethyl-
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 99765-58-9 |
|---|---|
| SMILES | CC1(C2(CCC(O1)(C(C2)O)C)O)C |
| InChIKey | PEWQMISWINPIPZ-UHFFFAOYSA-N |
Product Overview
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol (CAS 99765-58-9), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol.
Chemical Property Profile of 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
Property Insights of 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol has 2 hydrogen bond donor(s) and 3 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 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol?
The CAS number of 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol is 99765-58-9.
What is the molecular formula of 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol?
The molecular formula of 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol is C10H18O3.
What is the molecular weight of 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol?
The molecular weight of 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol is 186.13 g/mol.
Where can I buy 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol?
You can request a quote for 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.