5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 103576-44-9) is a chemical compound with molecular formula C14H22O5 and molecular weight 270.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-octanoyl-1,3-dioxane-4,6-dione
Also Known As: 5-OCTANOYL-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE, starbld0004268, 2,2-dimethyl-5-octanoyl-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(1-oxooctyl)-, 2,2-dimethyl-5-(1-oxooctyl)-1,3-Dioxane-4,6-dione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O5 |
| Molecular Weight | 270.14673 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.14673 Da |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
| SMILES | CCCCCCCC(=O)C1C(=O)OC(OC1=O)(C)C |
| InChIKey | UQMZDDUUYXBLHI-UHFFFAOYSA-N |
Chemical Property Profile of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 3.6 indicates that 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione is 103576-44-9.
What is the molecular formula of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione is C14H22O5.
What is the molecular weight of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione is 270.14673 g/mol.
Where can I buy 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, CoreyChem provides custom synthesis services for 5-Octanoyl-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.