1,3-Dioxane, 5,5-diethyl-
TL;DR: 1,3-Dioxane, 5,5-diethyl- (CAS 3390-07-6) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1,3-dioxane
Also Known As: 5,5-Diethyl-1,3-dioxane, 1,3-DIOXANE, 5,5-DIETHYL-, 5-19-01-00121 (Beilstein Handbook Reference), BRN 1340758, RefChem:218827
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 3390-07-6 |
|---|---|
| SMILES | CCC1(COCOC1)CC |
| InChIKey | PXZBONIIVQBUBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 5,5-diethyl- (CAS 3390-07-6), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 5,5-diethyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 5,5-diethyl-
Property Insights of 1,3-Dioxane, 5,5-diethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 5,5-diethyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 5,5-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 5,5-diethyl- 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, 5,5-diethyl-?
The CAS number of 1,3-Dioxane, 5,5-diethyl- is 3390-07-6.
What is the molecular formula of 1,3-Dioxane, 5,5-diethyl-?
The molecular formula of 1,3-Dioxane, 5,5-diethyl- is C8H16O2.
What is the molecular weight of 1,3-Dioxane, 5,5-diethyl-?
The molecular weight of 1,3-Dioxane, 5,5-diethyl- is 144.12 g/mol.
Where can I buy 1,3-Dioxane, 5,5-diethyl-?
You can request a quote for 1,3-Dioxane, 5,5-diethyl- 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, 5,5-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 5,5-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.