octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane

C18H12Na8O9Si — CID 70396067

IUPACoctasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane
SMILESO=[Si]([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-]
InChIInChI=1S/3C6H6O2.8Na.O3Si/c3*7-5-3-1-2-4-6(5)8;;;;;;;;;1-4(2)3/h3*1-4,7-8H;;;;;;;;;/q;;;8*+1;-2/p-6
InChIKeyRMQWHGDBVFRXSZ-UHFFFAOYSA-H
MW584.29 g/mol
LogP-27.34
Rot. Bonds

About octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane

octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane (PubChem CID 70396067) has the molecular formula C18H12Na8O9Si and a molecular weight of 584.29 g/mol. Its IUPAC name is octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane.

Molecular Properties

Compound Nameoctasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane
PubChem CID70396067
Molecular FormulaC18H12Na8O9Si
Molecular Weight584.29 g/mol
Exact Mass583.94
IUPAC Nameoctasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane
SMILESO=[Si]([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-]
InChIInChI=1S/3C6H6O2.8Na.O3Si/c3*7-5-3-1-2-4-6(5)8;;;;;;;;;1-4(2)3/h3*1-4,7-8H;;;;;;;;;/q;;;8*+1;-2/p-6
InChIKeyRMQWHGDBVFRXSZ-UHFFFAOYSA-H
XLogP-27.34
TPSA201.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.29
LogP ≤ 5-27.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane?
The IUPAC name of octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane (CID 70396067) is octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane.
What is the SMILES notation for octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane?
The canonical SMILES for octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane is O=[Si]([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].
What is the InChIKey of octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane?
The InChIKey is RMQWHGDBVFRXSZ-UHFFFAOYSA-H. The full InChI is InChI=1S/3C6H6O2.8Na.O3Si/c3*7-5-3-1-2-4-6(5)8;;;;;;;;;1-4(2)3/h3*1-4,7-8H;;;;;;;;;/q;;;8*+1;-2/p-6.
What are the key properties of octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane?
octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane has a molecular weight of 584.29 g/mol, XLogP of -27.34, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for octasodium;tris(benzene-1,2-diolate);dioxido(oxo)silane is sourced from PubChem (CID 70396067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).