dinitro(silyloxy)silane

H4N2O5Si2 — CID 173313410

IUPACdinitro(silyloxy)silane
SMILESO=[N+]([O-])[SiH](O[SiH3])[N+](=O)[O-]
InChIInChI=1S/H4N2O5Si2/c3-1(4)9(7-8)2(5)6/h9H,8H3
InChIKeyRGWHSFVBOLJBAO-UHFFFAOYSA-N
MW168.21 g/mol
LogP-2.45
Rot. Bonds3

About dinitro(silyloxy)silane

dinitro(silyloxy)silane (PubChem CID 173313410) has the molecular formula H4N2O5Si2 and a molecular weight of 168.21 g/mol. Its IUPAC name is dinitro(silyloxy)silane.

Molecular Properties

Compound Namedinitro(silyloxy)silane
PubChem CID173313410
Molecular FormulaH4N2O5Si2
Molecular Weight168.21 g/mol
Exact Mass167.97
IUPAC Namedinitro(silyloxy)silane
SMILESO=[N+]([O-])[SiH](O[SiH3])[N+](=O)[O-]
InChIInChI=1S/H4N2O5Si2/c3-1(4)9(7-8)2(5)6/h9H,8H3
InChIKeyRGWHSFVBOLJBAO-UHFFFAOYSA-N
XLogP-2.45
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 5-2.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dinitro(silyloxy)silane?
The IUPAC name of dinitro(silyloxy)silane (CID 173313410) is dinitro(silyloxy)silane.
What is the SMILES notation for dinitro(silyloxy)silane?
The canonical SMILES for dinitro(silyloxy)silane is O=[N+]([O-])[SiH](O[SiH3])[N+](=O)[O-].
What is the InChIKey of dinitro(silyloxy)silane?
The InChIKey is RGWHSFVBOLJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N2O5Si2/c3-1(4)9(7-8)2(5)6/h9H,8H3.
What are the key properties of dinitro(silyloxy)silane?
dinitro(silyloxy)silane has a molecular weight of 168.21 g/mol, XLogP of -2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dinitro(silyloxy)silane is sourced from PubChem (CID 173313410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).