1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl-
TL;DR: 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- (CAS 500349-13-3) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5,5-dimethyl-2-pentyl-1,3-dioxane
Also Known As: 2-ethyl-5,5-dimethyl-2-pentyl-1,3-dioxane, 1,3-DIOXANE, 2-ETHYL-5,5-DIMETHYL-2-PENTYL-, 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- (9CI)
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 500349-13-3 |
|---|---|
| SMILES | CCCCCC1(OCC(CO1)(C)C)CC |
| InChIKey | TZKCHPUWUWOEDL-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- (CAS 500349-13-3), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: 2-ethyl-5,5-dimethyl-2-pentyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl-
Property Insights of 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl-
The XLogP value of 4.1 indicates that 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- 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-ethyl-5,5-dimethyl-2-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- 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-ethyl-5,5-dimethyl-2-pentyl-?
The CAS number of 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- is 500349-13-3.
What is the molecular formula of 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl-?
The molecular formula of 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- is C13H26O2.
What is the molecular weight of 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl-?
The molecular weight of 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- is 214.19 g/mol.
Where can I buy 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl-?
You can request a quote for 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- 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-ethyl-5,5-dimethyl-2-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 2-ethyl-5,5-dimethyl-2-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.