calcium;magnesium;hydride;hydroxymethanone

C2H4CaMgO4 — CID 173274512

IUPACcalcium;magnesium;hydride;hydroxymethanone
SMILESO=[C-]O.O=[C-]O.[Ca+2].[H-].[H-].[Mg+2]
InChIInChI=1S/2CHO2.Ca.Mg.2H/c2*2-1-3;;;;/h2*(H,2,3);;;;/q2*-1;2*+2;2*-1
InChIKeyPYETXPCJFKTFCQ-UHFFFAOYSA-N
MW156.43 g/mol
LogP-1.31
Rot. Bonds

About calcium;magnesium;hydride;hydroxymethanone

calcium;magnesium;hydride;hydroxymethanone (PubChem CID 173274512) has the molecular formula C2H4CaMgO4 and a molecular weight of 156.43 g/mol. Its IUPAC name is calcium;magnesium;hydride;hydroxymethanone.

Molecular Properties

Compound Namecalcium;magnesium;hydride;hydroxymethanone
PubChem CID173274512
Molecular FormulaC2H4CaMgO4
Molecular Weight156.43 g/mol
Exact Mass155.96
IUPAC Namecalcium;magnesium;hydride;hydroxymethanone
SMILESO=[C-]O.O=[C-]O.[Ca+2].[H-].[H-].[Mg+2]
InChIInChI=1S/2CHO2.Ca.Mg.2H/c2*2-1-3;;;;/h2*(H,2,3);;;;/q2*-1;2*+2;2*-1
InChIKeyPYETXPCJFKTFCQ-UHFFFAOYSA-N
XLogP-1.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.43
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethanone
CID 54723866
dialuminum;dicalcium;hydroxymethanone;pentahydroxide
CID 173350223
erbium(3+);hydroxymethanone
CID 173220930
hydroxymethanone;ruthenium(1+)
CID 87059132
hydroxymethanone;vanadium
CID 59094876
hydroxymethanone;ruthenium(4+)
CID 172995275
hydroxymethanone;tungsten
CID 141151866
sodium;hydroxymethanone;phosphane
CID 159362533
silver;azane;hydroxymethanone
CID 166682246
bismuthane;hydroxymethanone;zinc
CID 174420136
copper(1+);hydroxymethanone;methane
CID 174882093
hydroxymethanone;oxovanadium(2+)
CID 87184679

Frequently Asked Questions

What is the IUPAC name of calcium;magnesium;hydride;hydroxymethanone?
The IUPAC name of calcium;magnesium;hydride;hydroxymethanone (CID 173274512) is calcium;magnesium;hydride;hydroxymethanone.
What is the SMILES notation for calcium;magnesium;hydride;hydroxymethanone?
The canonical SMILES for calcium;magnesium;hydride;hydroxymethanone is O=[C-]O.O=[C-]O.[Ca+2].[H-].[H-].[Mg+2].
What is the InChIKey of calcium;magnesium;hydride;hydroxymethanone?
The InChIKey is PYETXPCJFKTFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHO2.Ca.Mg.2H/c2*2-1-3;;;;/h2*(H,2,3);;;;/q2*-1;2*+2;2*-1.
What are the key properties of calcium;magnesium;hydride;hydroxymethanone?
calcium;magnesium;hydride;hydroxymethanone has a molecular weight of 156.43 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;magnesium;hydride;hydroxymethanone is sourced from PubChem (CID 173274512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).