1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-
TL;DR: 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- (CAS 67969-59-9) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yl-4-methyl-1,3-dioxane
Also Known As: 2-sec-butyl-4-methyl-1,3-dioxane, 4-methyl-2- -1,3-dioxane, 4-Methyl-2-(1-methylpropyl)-1,3-dioxane, 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-, 2-(butan-2-yl)-4-methyl-1,3-dioxane
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 67969-59-9 |
|---|---|
| SMILES | CCC(C)C1OCCC(O1)C |
| InChIKey | FPTZRJSOBHEGPH-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- (CAS 67969-59-9), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-butan-2-yl-4-methyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-
Property Insights of 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- 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, 4-methyl-2-(1-methylpropyl)-?
The CAS number of 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- is 67969-59-9.
What is the molecular formula of 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-?
The molecular formula of 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- is C9H18O2.
What is the molecular weight of 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-?
The molecular weight of 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- is 158.13 g/mol.
Where can I buy 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)-?
You can request a quote for 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- 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, 4-methyl-2-(1-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 4-methyl-2-(1-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.