tricalcium;tetrahydroxide;dihypochlorite

H4Ca3Cl2O6 — CID 3033843

IUPACtricalcium;tetrahydroxide;dihypochlorite
SMILES[Ca+2].[Ca+2].[Ca+2].[O-]Cl.[O-]Cl.[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/3Ca.2ClO.4H2O/c;;;2*1-2;;;;/h;;;;;4*1H2/q3*+2;2*-1;;;;/p-4
InChIKeyLTAFUYCOQAJRBT-UHFFFAOYSA-J
MW291.17 g/mol
LogP-2.85
Rot. Bonds

About tricalcium;tetrahydroxide;dihypochlorite

tricalcium;tetrahydroxide;dihypochlorite (PubChem CID 3033843) has the molecular formula H4Ca3Cl2O6 and a molecular weight of 291.17 g/mol. Its IUPAC name is tricalcium;tetrahydroxide;dihypochlorite.

Molecular Properties

Compound Nametricalcium;tetrahydroxide;dihypochlorite
PubChem CID3033843
Molecular FormulaH4Ca3Cl2O6
Molecular Weight291.17 g/mol
Exact Mass289.83
IUPAC Nametricalcium;tetrahydroxide;dihypochlorite
SMILES[Ca+2].[Ca+2].[Ca+2].[O-]Cl.[O-]Cl.[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/3Ca.2ClO.4H2O/c;;;2*1-2;;;;/h;;;;;4*1H2/q3*+2;2*-1;;;;/p-4
InChIKeyLTAFUYCOQAJRBT-UHFFFAOYSA-J
XLogP-2.85
TPSA166.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tricalcium;tetrahydroxide;dihypochlorite?
The IUPAC name of tricalcium;tetrahydroxide;dihypochlorite (CID 3033843) is tricalcium;tetrahydroxide;dihypochlorite.
What is the SMILES notation for tricalcium;tetrahydroxide;dihypochlorite?
The canonical SMILES for tricalcium;tetrahydroxide;dihypochlorite is [Ca+2].[Ca+2].[Ca+2].[O-]Cl.[O-]Cl.[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of tricalcium;tetrahydroxide;dihypochlorite?
The InChIKey is LTAFUYCOQAJRBT-UHFFFAOYSA-J. The full InChI is InChI=1S/3Ca.2ClO.4H2O/c;;;2*1-2;;;;/h;;;;;4*1H2/q3*+2;2*-1;;;;/p-4.
What are the key properties of tricalcium;tetrahydroxide;dihypochlorite?
tricalcium;tetrahydroxide;dihypochlorite has a molecular weight of 291.17 g/mol, XLogP of -2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;tetrahydroxide;dihypochlorite is sourced from PubChem (CID 3033843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).