calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate

H9CaClMgO6S — CID 173156275

IUPACcalcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.OCl.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ca.ClHO.Mg.H2O4S.H2O.4H/c;1-2;;1-5(2,3)4;;;;;/h;2H;;(H2,1,2,3,4);1H2;;;;/q+2;;+2;;;4*-1
InChIKeyYQTJYRQJWMSRKE-UHFFFAOYSA-N
MW236.97 g/mol
LogP-1.66
Rot. Bonds

About calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate

calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate (PubChem CID 173156275) has the molecular formula H9CaClMgO6S and a molecular weight of 236.97 g/mol. Its IUPAC name is calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate.

Molecular Properties

Compound Namecalcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate
PubChem CID173156275
Molecular FormulaH9CaClMgO6S
Molecular Weight236.97 g/mol
Exact Mass235.93
IUPAC Namecalcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.OCl.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2]
InChIInChI=1S/Ca.ClHO.Mg.H2O4S.H2O.4H/c;1-2;;1-5(2,3)4;;;;;/h;2H;;(H2,1,2,3,4);1H2;;;;/q+2;;+2;;;4*-1
InChIKeyYQTJYRQJWMSRKE-UHFFFAOYSA-N
XLogP-1.66
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.97
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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dicalcium;hydride;sulfuric acid;hydrate
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tricalcium;alumane;hydride;sulfuric acid;hydrate
CID 175130797
magnesium;potassium;hydride;sulfuric acid;hexahydrate
CID 175028651
beryllium;hydride;sulfuric acid
CID 174664127
magnesium;strontium;hydride;sulfuric acid;hydrate;hydrochloride
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dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride
CID 174417210
dicalcium;hydride;sulfuric acid;hydrochloride
CID 173127277
potassium;hydride;sulfuric acid;dodecahydrate
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lithium;sodium;hydride;sulfuric acid;dihydrate
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CID 173159750

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate?
The IUPAC name of calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate (CID 173156275) is calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate.
What is the SMILES notation for calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate?
The canonical SMILES for calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate is O.O=S(=O)(O)O.OCl.[Ca+2].[H-].[H-].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate?
The InChIKey is YQTJYRQJWMSRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.ClHO.Mg.H2O4S.H2O.4H/c;1-2;;1-5(2,3)4;;;;;/h;2H;;(H2,1,2,3,4);1H2;;;;/q+2;;+2;;;4*-1.
What are the key properties of calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate?
calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate has a molecular weight of 236.97 g/mol, XLogP of -1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;hypochlorous acid;sulfuric acid;hydrate is sourced from PubChem (CID 173156275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).