calcium;potassium;dinitrate;hydrate

H2CaKN2O7+ — CID 172855614

IUPACcalcium;potassium;dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[K+]
InChIInChI=1S/Ca.K.2NO3.H2O/c;;2*2-1(3)4;/h;;;;1H2/q+2;+1;2*-1;
InChIKeyYQWKZWVCVMFIRI-UHFFFAOYSA-N
MW221.20 g/mol
LogP-4.68
Rot. Bonds

About calcium;potassium;dinitrate;hydrate

calcium;potassium;dinitrate;hydrate (PubChem CID 172855614) has the molecular formula H2CaKN2O7+ and a molecular weight of 221.20 g/mol. Its IUPAC name is calcium;potassium;dinitrate;hydrate.

Molecular Properties

Compound Namecalcium;potassium;dinitrate;hydrate
PubChem CID172855614
Molecular FormulaH2CaKN2O7+
Molecular Weight221.20 g/mol
Exact Mass220.91
IUPAC Namecalcium;potassium;dinitrate;hydrate
SMILESO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[K+]
InChIInChI=1S/Ca.K.2NO3.H2O/c;;2*2-1(3)4;/h;;;;1H2/q+2;+1;2*-1;
InChIKeyYQWKZWVCVMFIRI-UHFFFAOYSA-N
XLogP-4.68
TPSA163.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 5-4.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;potassium;hydride;nitrate;decahydrate
CID 175010949
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195
potassium;cerium;nitrate;dihydrate
CID 173223214
rhodium(3+);trinitrate;hexahydrate
CID 159957090
cobalt;nitrate;tetrahydrate
CID 173115320
dibismuth;hexanitrate;pentahydrate
CID 158893805
erbium(3+);trinitrate;tetrahydrate
CID 172858515
dysprosium(3+);trinitrate;pentahydrate
CID 91886635
cerium(3+);pentanitrate;hydrate
CID 139249254
sodium;nitrate;tetrahydrate
CID 162201136
beryllium;nitrate;tetrahydrate
CID 19806872

Frequently Asked Questions

What is the IUPAC name of calcium;potassium;dinitrate;hydrate?
The IUPAC name of calcium;potassium;dinitrate;hydrate (CID 172855614) is calcium;potassium;dinitrate;hydrate.
What is the SMILES notation for calcium;potassium;dinitrate;hydrate?
The canonical SMILES for calcium;potassium;dinitrate;hydrate is O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[K+].
What is the InChIKey of calcium;potassium;dinitrate;hydrate?
The InChIKey is YQWKZWVCVMFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.K.2NO3.H2O/c;;2*2-1(3)4;/h;;;;1H2/q+2;+1;2*-1;.
What are the key properties of calcium;potassium;dinitrate;hydrate?
calcium;potassium;dinitrate;hydrate has a molecular weight of 221.20 g/mol, XLogP of -4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;potassium;dinitrate;hydrate is sourced from PubChem (CID 172855614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).