1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
TL;DR: 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- (CAS 68139-00-4) 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.
2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
Also Known As: 2,4-Dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane, 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-pentenyl)-, 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-, 2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane, 2,4-DIMETHYL-2-(4-METHYLPENT-3-EN-1-YL)-1,3-DIOXANE
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.2 |
| 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 | 206.0 |
Chemical Identifiers
| CAS Number | 68139-00-4 |
|---|---|
| SMILES | CC1CCOC(O1)(C)CCC=C(C)C |
| InChIKey | CUALKFUPFIXKCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- (CAS 68139-00-4), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
Property Insights of 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
The XLogP value of 3.2 indicates that 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- 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, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- 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, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-?
The CAS number of 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- is 68139-00-4.
What is the molecular formula of 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-?
The molecular formula of 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- is C12H22O2.
What is the molecular weight of 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-?
The molecular weight of 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- is 198.16 g/mol.
Where can I buy 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-?
You can request a quote for 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- 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, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.