5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane
TL;DR: 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane (CAS 90197-90-3) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane
Also Known As: p-Toluic acid,pentyl ester, 5,5-dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane, 1,3-Dioxane,5,5-dimethyl-2-(6-methyl-3-cyclohexen-1-yl)-
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 90197-90-3 |
|---|---|
| SMILES | CC1CC=CCC1C2OCC(CO2)(C)C |
| InChIKey | GEVSVFAZIUJFHZ-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane (CAS 90197-90-3), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 5,5-dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane.
Chemical Property Profile of 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane
Property Insights of 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane
The XLogP value of 3.3 indicates that 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane 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 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane?
The CAS number of 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane is 90197-90-3.
What is the molecular formula of 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane?
The molecular formula of 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane is C13H22O2.
What is the molecular weight of 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane?
The molecular weight of 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane is 210.16 g/mol.
Where can I buy 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane?
You can request a quote for 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-(6-methylcyclohex-3-en-1-yl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.