5,5-Dimethyl-2-propyl-1,3-dioxane
TL;DR: 5,5-Dimethyl-2-propyl-1,3-dioxane (CAS 876-28-8) 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.
5,5-dimethyl-2-propyl-1,3-dioxane
Also Known As: 5,5-dimethyl-2-propyl-1,3-dioxane, 2-Propyl-5,5-dimethyl-1,3-dioxane, 2-(1-propyl)-5,5-dimethyl-1,3-dioxane, RefChem:298370
| 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 | 111.0 |
Chemical Identifiers
| CAS Number | 876-28-8 |
|---|---|
| SMILES | CCCC1OCC(CO1)(C)C |
| InChIKey | MPKIYLAWIVBZKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Dimethyl-2-propyl-1,3-dioxane (CAS 876-28-8), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 5,5-dimethyl-2-propyl-1,3-dioxane.
Chemical Property Profile of 5,5-Dimethyl-2-propyl-1,3-dioxane
Property Insights of 5,5-Dimethyl-2-propyl-1,3-dioxane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-propyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 5,5-Dimethyl-2-propyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-propyl-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-propyl-1,3-dioxane?
The CAS number of 5,5-Dimethyl-2-propyl-1,3-dioxane is 876-28-8.
What is the molecular formula of 5,5-Dimethyl-2-propyl-1,3-dioxane?
The molecular formula of 5,5-Dimethyl-2-propyl-1,3-dioxane is C9H18O2.
What is the molecular weight of 5,5-Dimethyl-2-propyl-1,3-dioxane?
The molecular weight of 5,5-Dimethyl-2-propyl-1,3-dioxane is 158.13 g/mol.
Where can I buy 5,5-Dimethyl-2-propyl-1,3-dioxane?
You can request a quote for 5,5-Dimethyl-2-propyl-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-propyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-propyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.