5,5-Diethyl-1,3-dioxan-2-one
TL;DR: 5,5-Diethyl-1,3-dioxan-2-one (CAS 13451-79-1) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1,3-dioxan-2-one
Also Known As: 5,5-diethyl-1,3-dioxan-2-one, 5,5-diethyl-m-dioxan-2-one, 1,3-Dioxan-2-one,5,5-diethyl, 5,5-diethyl-1,3-dioxane-2-one, 1,3-Dioxan-2-one,5,5-diethyl-
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 13451-79-1 |
|---|---|
| SMILES | CCC1(COC(=O)OC1)CC |
| InChIKey | JJCRWNPMISIXJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Diethyl-1,3-dioxan-2-one (CAS 13451-79-1), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 5,5-diethyl-1,3-dioxan-2-one.
Chemical Property Profile of 5,5-Diethyl-1,3-dioxan-2-one
Property Insights of 5,5-Diethyl-1,3-dioxan-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Diethyl-1,3-dioxan-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 5,5-Diethyl-1,3-dioxan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Diethyl-1,3-dioxan-2-one has 0 hydrogen bond donor(s) and 3 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-Diethyl-1,3-dioxan-2-one?
The CAS number of 5,5-Diethyl-1,3-dioxan-2-one is 13451-79-1.
What is the molecular formula of 5,5-Diethyl-1,3-dioxan-2-one?
The molecular formula of 5,5-Diethyl-1,3-dioxan-2-one is C8H14O3.
What is the molecular weight of 5,5-Diethyl-1,3-dioxan-2-one?
The molecular weight of 5,5-Diethyl-1,3-dioxan-2-one is 158.09 g/mol.
Where can I buy 5,5-Diethyl-1,3-dioxan-2-one?
You can request a quote for 5,5-Diethyl-1,3-dioxan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Diethyl-1,3-dioxan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diethyl-1,3-dioxan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.