Hexane, 3,4-dimethyl-3,4-dinitro-
TL;DR: Hexane, 3,4-dimethyl-3,4-dinitro- (CAS 102871-79-4) is a chemical compound with molecular formula C8H16N2O4 and molecular weight 204.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dimethyl-3,4-dinitrohexane
Also Known As: 3,4-dimethyl-3,4-dinitrohexane, Hexane, 3,4-dimethyl-3,4-dinitro-, 3.4-Dinitro-3.4-dimethylhexan, 3,4-dimethyl-3,4-dinitro-hexane, Hexane,3,4-dimethyl-3,4-dinitro
Technical Specifications
| Molecular Formula | C8H16N2O4 |
| Molecular Weight | 204.11101 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11101 Da |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| SMILES | CCC(C)(C(C)(CC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GVEMMQMBSPOZFY-UHFFFAOYSA-N |
Chemical Property Profile of Hexane, 3,4-dimethyl-3,4-dinitro-
Property Insights of Hexane, 3,4-dimethyl-3,4-dinitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane, 3,4-dimethyl-3,4-dinitro-. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexane, 3,4-dimethyl-3,4-dinitro-. Following Lipinski's Rule of Five, Hexane, 3,4-dimethyl-3,4-dinitro- 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 Hexane, 3,4-dimethyl-3,4-dinitro-?
The CAS number of Hexane, 3,4-dimethyl-3,4-dinitro- is 102871-79-4.
What is the molecular formula of Hexane, 3,4-dimethyl-3,4-dinitro-?
The molecular formula of Hexane, 3,4-dimethyl-3,4-dinitro- is C8H16N2O4.
What is the molecular weight of Hexane, 3,4-dimethyl-3,4-dinitro-?
The molecular weight of Hexane, 3,4-dimethyl-3,4-dinitro- is 204.11101 g/mol.
Where can I buy Hexane, 3,4-dimethyl-3,4-dinitro-?
You can request a quote for Hexane, 3,4-dimethyl-3,4-dinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexane, 3,4-dimethyl-3,4-dinitro-?
Yes, CoreyChem provides custom synthesis services for Hexane, 3,4-dimethyl-3,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.