CID 175168698

H6Mg2O4 — CID 175168698

IUPAC
SMILESOOOO.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2Mg.H2O4.4H/c;;1-3-4-2;;;;/h;;1-2H;;;;/q2*+2;;4*-1
InChIKeyHYXDROOTURGFEF-UHFFFAOYSA-N
MW118.65 g/mol
LogP-0.43
Rot. Bonds1

About CID 175168698

CID 175168698 (PubChem CID 175168698) has the molecular formula H6Mg2O4 and a molecular weight of 118.65 g/mol.

Molecular Properties

Compound NameCID 175168698
PubChem CID175168698
Molecular FormulaH6Mg2O4
Molecular Weight118.65 g/mol
Exact Mass118.00
IUPAC Name
SMILESOOOO.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/2Mg.H2O4.4H/c;;1-3-4-2;;;;/h;;1-2H;;;;/q2*+2;;4*-1
InChIKeyHYXDROOTURGFEF-UHFFFAOYSA-N
XLogP-0.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.65
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175168698?
The IUPAC name of CID 175168698 (CID 175168698) is not available.
What is the SMILES notation for CID 175168698?
The canonical SMILES for CID 175168698 is OOOO.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of CID 175168698?
The InChIKey is HYXDROOTURGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2Mg.H2O4.4H/c;;1-3-4-2;;;;/h;;1-2H;;;;/q2*+2;;4*-1.
What are the key properties of CID 175168698?
CID 175168698 has a molecular weight of 118.65 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175168698 is sourced from PubChem (CID 175168698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).