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 204.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C8H16N2O4 |
|---|---|
| Molecular Weight | 204.11 g/mol |
| LogP | 1.8772 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11101 |
| Heavy Atoms | 14 |
| Complexity | 229.72583 |
Chemical Identifiers
| CAS Number | 102871-79-4 |
|---|---|
| SMILES | CCC(C)(C(C)(CC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Hexane, 3,4-dimethyl-3,4-dinitro- (CAS 102871-79-4), with molecular formula C8H16N2O4 and molecular weight 204.11 g/mol. IUPAC: 3,4-dimethyl-3,4-dinitrohexane.
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 1.8772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane, 3,4-dimethyl-3,4-dinitro-. The TPSA of 86.28 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
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 204.11 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane, 3,4-dimethyl-3,4-dinitro-?
Yes, KEHONG BIO 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.