Octane-2,4,5,7-tetrone
TL;DR: Octane-2,4,5,7-tetrone (CAS 1114-91-6) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octane-2,4,5,7-tetrone
Also Known As: Octane-2,4,5,7-tetrone, Oxalyldiaceton, 2,4,5,7-octanetetrone, Octane-2,4,5,7-tetraone, EINECS 214-218-0
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.0579 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.0579 Da |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
| SMILES | CC(=O)CC(=O)C(=O)CC(=O)C |
| InChIKey | TVDDXVUEWIHEHC-UHFFFAOYSA-N |
Chemical Property Profile of Octane-2,4,5,7-tetrone
Property Insights of Octane-2,4,5,7-tetrone
The XLogP value of -0.7 indicates that Octane-2,4,5,7-tetrone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Octane-2,4,5,7-tetrone. Following Lipinski's Rule of Five, Octane-2,4,5,7-tetrone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octane-2,4,5,7-tetrone?
The CAS number of Octane-2,4,5,7-tetrone is 1114-91-6.
What is the molecular formula of Octane-2,4,5,7-tetrone?
The molecular formula of Octane-2,4,5,7-tetrone is C8H10O4.
What is the molecular weight of Octane-2,4,5,7-tetrone?
The molecular weight of Octane-2,4,5,7-tetrone is 170.0579 g/mol.
Where can I buy Octane-2,4,5,7-tetrone?
You can request a quote for Octane-2,4,5,7-tetrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octane-2,4,5,7-tetrone?
Yes, CoreyChem provides custom synthesis services for Octane-2,4,5,7-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.