dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride

C8H4K2N10O13 — CID 174894672

About dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride

dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride (PubChem CID 174894672) has the molecular formula C8H4K2N10O13 and a molecular weight of 526.37 g/mol. Its IUPAC name is dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride.

Molecular Properties

• Compound Name: dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride
• PubChem CID: 174894672
• Molecular Formula: C8H4K2N10O13
• Molecular Weight: 526.37 g/mol
• Exact Mass: 525.92
• IUPAC Name: dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride
• SMILES: O=[N+]([O-])C(c1nonc1Oc1nonc1Oc1nonc1C([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[H-].[H-].[K+].[K+]
• InChI: InChI=1S/C8H2N10O13.2K.2H/c19-15(20)7(16(21)22)1-3(11-29-9-1)27-5-6(14-31-13-5)28-4-2(10-30-12-4)8(17(23)24)18(25)26;;;;/h7-8H;;;;/q;2*+1;2*-1
• InChIKey: VAXFBDFOSXIFOZ-UHFFFAOYSA-N
• XLogP: -6.24
• TPSA: 307.78 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.37
LogP ≤ 5	-6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride?

The IUPAC name of dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride (CID 174894672) is dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride.

What is the SMILES notation for dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride?

The canonical SMILES for dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride is O=[N+]([O-])C(c1nonc1Oc1nonc1Oc1nonc1C([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[H-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride?

The InChIKey is VAXFBDFOSXIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2N10O13.2K.2H/c19-15(20)7(16(21)22)1-3(11-29-9-1)27-5-6(14-31-13-5)28-4-2(10-30-12-4)8(17(23)24)18(25)26;;;;/h7-8H;;;;/q;2*+1;2*-1.

What are the key properties of dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride?

dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride has a molecular weight of 526.37 g/mol, XLogP of -6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-(dinitromethyl)-4-[[4-[[4-(dinitromethyl)-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazol-3-yl]oxy]-1,2,5-oxadiazole;hydride is sourced from PubChem (CID 174894672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).