calcium;potassium;hydride;nitrate;decahydrate

H22CaKNO13 — CID 175010949

IUPACcalcium;potassium;hydride;nitrate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Ca+2].[H-].[H-].[K+]
InChIInChI=1S/Ca.K.NO3.10H2O.2H/c;;2-1(3)4;;;;;;;;;;;;/h;;;10*1H2;;/q+2;+1;-1;;;;;;;;;;;2*-1
InChIKeyYVTNIXCULVDYBT-UHFFFAOYSA-N
MW323.35 g/mol
LogP-11.64
Rot. Bonds

About calcium;potassium;hydride;nitrate;decahydrate

calcium;potassium;hydride;nitrate;decahydrate (PubChem CID 175010949) has the molecular formula H22CaKNO13 and a molecular weight of 323.35 g/mol. Its IUPAC name is calcium;potassium;hydride;nitrate;decahydrate.

Molecular Properties

Compound Namecalcium;potassium;hydride;nitrate;decahydrate
PubChem CID175010949
Molecular FormulaH22CaKNO13
Molecular Weight323.35 g/mol
Exact Mass323.04
IUPAC Namecalcium;potassium;hydride;nitrate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Ca+2].[H-].[H-].[K+]
InChIInChI=1S/Ca.K.NO3.10H2O.2H/c;;2-1(3)4;;;;;;;;;;;;/h;;;10*1H2;;/q+2;+1;-1;;;;;;;;;;;2*-1
InChIKeyYVTNIXCULVDYBT-UHFFFAOYSA-N
XLogP-11.64
TPSA381.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-11.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;dinitrate;hydrate
CID 172855614
calcium;nitrate;hexahydrate
CID 22138076
dicalcium;tetranitrate;tetrahydrate
CID 157337195
potassium;cerium;nitrate;dihydrate
CID 173223214
calcium;potassium;hydride;urea;nitrate;dihydrate
CID 174993717
promethium;nitrate;hexahydrate
CID 173171534
neodymium;nitrate;pentahydrate
CID 173320281
terbium;trinitrate;hexahydrate
CID 20978123
cerium(3+);pentanitrate;hydrate
CID 139249254
dibismuth;hexanitrate;pentahydrate
CID 158893805
sodium;nitrate;tetrahydrate
CID 162201136
erbium(3+);trinitrate;tetrahydrate
CID 172858515

Frequently Asked Questions

What is the IUPAC name of calcium;potassium;hydride;nitrate;decahydrate?
The IUPAC name of calcium;potassium;hydride;nitrate;decahydrate (CID 175010949) is calcium;potassium;hydride;nitrate;decahydrate.
What is the SMILES notation for calcium;potassium;hydride;nitrate;decahydrate?
The canonical SMILES for calcium;potassium;hydride;nitrate;decahydrate is O.O.O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[Ca+2].[H-].[H-].[K+].
What is the InChIKey of calcium;potassium;hydride;nitrate;decahydrate?
The InChIKey is YVTNIXCULVDYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.K.NO3.10H2O.2H/c;;2-1(3)4;;;;;;;;;;;;/h;;;10*1H2;;/q+2;+1;-1;;;;;;;;;;;2*-1.
What are the key properties of calcium;potassium;hydride;nitrate;decahydrate?
calcium;potassium;hydride;nitrate;decahydrate has a molecular weight of 323.35 g/mol, XLogP of -11.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;potassium;hydride;nitrate;decahydrate is sourced from PubChem (CID 175010949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).