1,3-Dioxane, 2-hexyl-4-methyl-
TL;DR: 1,3-Dioxane, 2-hexyl-4-methyl- (CAS 3080-69-1) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexyl-4-methyl-1,3-dioxane
Also Known As: 2-Hexyl-4-methyl-1,3-dioxane, 1,3-Dioxane, 2-hexyl-4-methyl-, 4-Methyl-2-hexyl-1,3-dioxane, m-Dioxane, 2-hexyl-4-methyl-, Heptanal, cyclic trimethylene acetal
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 3080-69-1 |
|---|---|
| SMILES | CCCCCCC1OCCC(O1)C |
| InChIKey | WHAXQUXICKDLJD-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 2-hexyl-4-methyl- (CAS 3080-69-1), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2-hexyl-4-methyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 2-hexyl-4-methyl-
Property Insights of 1,3-Dioxane, 2-hexyl-4-methyl-
The XLogP value of 3.5 indicates that 1,3-Dioxane, 2-hexyl-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 2-hexyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 2-hexyl-4-methyl- has 0 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 1,3-Dioxane, 2-hexyl-4-methyl-?
The CAS number of 1,3-Dioxane, 2-hexyl-4-methyl- is 3080-69-1.
What is the molecular formula of 1,3-Dioxane, 2-hexyl-4-methyl-?
The molecular formula of 1,3-Dioxane, 2-hexyl-4-methyl- is C11H22O2.
What is the molecular weight of 1,3-Dioxane, 2-hexyl-4-methyl-?
The molecular weight of 1,3-Dioxane, 2-hexyl-4-methyl- is 186.16 g/mol.
Where can I buy 1,3-Dioxane, 2-hexyl-4-methyl-?
You can request a quote for 1,3-Dioxane, 2-hexyl-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 2-hexyl-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 2-hexyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.