1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-
TL;DR: 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- (CAS 97536-49-7) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
Also Known As: 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-, 4,6-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane, 4,6-DIMETHYL-2-(4-METHYL-3-PENTENYL)-1,3-DIOXANE, 4,6-DIMETHYL-2-(4-METHYLPENT-3-EN-1-YL)-1,3-DIOXANE, Copper(II)-methyl 2-(2-aminoethyl)aminoethylpyridine-6-carboxylhistidinate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 97536-49-7 |
|---|---|
| SMILES | CC1CC(OC(O1)CCC=C(C)C)C |
| InChIKey | ZJCKKGQWHCCJKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- (CAS 97536-49-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 4,6-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-
Property Insights of 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-
The XLogP value of 3.4 indicates that 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- 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, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- 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, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-?
The CAS number of 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- is 97536-49-7.
What is the molecular formula of 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-?
The molecular formula of 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- is C12H22O2.
What is the molecular weight of 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-?
The molecular weight of 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- is 198.16 g/mol.
Where can I buy 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-?
You can request a quote for 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- 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, 4,6-dimethyl-2-(4-methyl-3-pentenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 4,6-dimethyl-2-(4-methyl-3-pentenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.