nickel;silicate;hydrate

H2NiO5Si-4 — CID 174577491

IUPACnickel;silicate;hydrate
SMILESO.[Ni].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ni.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;
InChIKeyFEGFPLWTMAWPQC-UHFFFAOYSA-N
MW168.79 g/mol
LogP-5.96
Rot. Bonds

About nickel;silicate;hydrate

nickel;silicate;hydrate (PubChem CID 174577491) has the molecular formula H2NiO5Si-4 and a molecular weight of 168.79 g/mol. Its IUPAC name is nickel;silicate;hydrate.

Molecular Properties

Compound Namenickel;silicate;hydrate
PubChem CID174577491
Molecular FormulaH2NiO5Si-4
Molecular Weight168.79 g/mol
Exact Mass167.90
IUPAC Namenickel;silicate;hydrate
SMILESO.[Ni].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/Ni.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;
InChIKeyFEGFPLWTMAWPQC-UHFFFAOYSA-N
XLogP-5.96
TPSA123.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.79
LogP ≤ 5-5.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 nickel;silicate;hydrate?
The IUPAC name of nickel;silicate;hydrate (CID 174577491) is nickel;silicate;hydrate.
What is the SMILES notation for nickel;silicate;hydrate?
The canonical SMILES for nickel;silicate;hydrate is O.[Ni].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of nickel;silicate;hydrate?
The InChIKey is FEGFPLWTMAWPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/Ni.O4Si.H2O/c;1-5(2,3)4;/h;;1H2/q;-4;.
What are the key properties of nickel;silicate;hydrate?
nickel;silicate;hydrate has a molecular weight of 168.79 g/mol, XLogP of -5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;silicate;hydrate is sourced from PubChem (CID 174577491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).