2-Benzyl-5,5-dimethyl-1,3-dioxane
TL;DR: 2-Benzyl-5,5-dimethyl-1,3-dioxane (CAS 5468-08-6) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5,5-dimethyl-1,3-dioxane
Also Known As: 2-Benzyl-5,5-dimethyl-1,3-dioxane, EINECS 226-785-1
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 5468-08-6 |
|---|---|
| SMILES | CC1(COC(OC1)CC2=CC=CC=C2)C |
| InChIKey | IHCANIZNDDYSKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-5,5-dimethyl-1,3-dioxane (CAS 5468-08-6), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-benzyl-5,5-dimethyl-1,3-dioxane.
Chemical Property Profile of 2-Benzyl-5,5-dimethyl-1,3-dioxane
Property Insights of 2-Benzyl-5,5-dimethyl-1,3-dioxane
The XLogP value of 3.0 indicates that 2-Benzyl-5,5-dimethyl-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, 2-Benzyl-5,5-dimethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5,5-dimethyl-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 2-Benzyl-5,5-dimethyl-1,3-dioxane?
The CAS number of 2-Benzyl-5,5-dimethyl-1,3-dioxane is 5468-08-6.
What is the molecular formula of 2-Benzyl-5,5-dimethyl-1,3-dioxane?
The molecular formula of 2-Benzyl-5,5-dimethyl-1,3-dioxane is C13H18O2.
What is the molecular weight of 2-Benzyl-5,5-dimethyl-1,3-dioxane?
The molecular weight of 2-Benzyl-5,5-dimethyl-1,3-dioxane is 206.13 g/mol.
Where can I buy 2-Benzyl-5,5-dimethyl-1,3-dioxane?
You can request a quote for 2-Benzyl-5,5-dimethyl-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 2-Benzyl-5,5-dimethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-5,5-dimethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.