2-Hexanone, 5,5-dinitro-
TL;DR: 2-Hexanone, 5,5-dinitro- (CAS 15473-20-8) is a chemical compound with molecular formula C6H10N2O5 and molecular weight 190.05898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-dinitrohexan-2-one
Also Known As: 5,5-Dinitro-2-hexanone, 2,2-dinitro-5-hexanone, 5,5-dinitrohexan-2-one, 2-HEXANONE, 5,5-DINITRO-, 4-01-00-03300 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C6H10N2O5 |
| Molecular Weight | 190.05898 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.05898 Da |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
| SMILES | CC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XVHQQACRUFLHKQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexanone, 5,5-dinitro-
Property Insights of 2-Hexanone, 5,5-dinitro-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexanone, 5,5-dinitro-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexanone, 5,5-dinitro-. Following Lipinski's Rule of Five, 2-Hexanone, 5,5-dinitro- 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 2-Hexanone, 5,5-dinitro-?
The CAS number of 2-Hexanone, 5,5-dinitro- is 15473-20-8.
What is the molecular formula of 2-Hexanone, 5,5-dinitro-?
The molecular formula of 2-Hexanone, 5,5-dinitro- is C6H10N2O5.
What is the molecular weight of 2-Hexanone, 5,5-dinitro-?
The molecular weight of 2-Hexanone, 5,5-dinitro- is 190.05898 g/mol.
Where can I buy 2-Hexanone, 5,5-dinitro-?
You can request a quote for 2-Hexanone, 5,5-dinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexanone, 5,5-dinitro-?
Yes, CoreyChem provides custom synthesis services for 2-Hexanone, 5,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.