calcium;alumane;hydride;iron

H8Al2CaFe — CID 174578778

IUPACcalcium;alumane;hydride;iron
SMILES[AlH3].[AlH3].[Ca+2].[Fe].[H-].[H-]
InChIInChI=1S/2Al.Ca.Fe.8H/q;;+2;;;;;;;;2*-1
InChIKeyQNHIPYOZGVXRIZ-UHFFFAOYSA-N
MW157.95 g/mol
LogP-2.53
Rot. Bonds

About calcium;alumane;hydride;iron

calcium;alumane;hydride;iron (PubChem CID 174578778) has the molecular formula H8Al2CaFe and a molecular weight of 157.95 g/mol. Its IUPAC name is calcium;alumane;hydride;iron.

Molecular Properties

Compound Namecalcium;alumane;hydride;iron
PubChem CID174578778
Molecular FormulaH8Al2CaFe
Molecular Weight157.95 g/mol
Exact Mass157.92
IUPAC Namecalcium;alumane;hydride;iron
SMILES[AlH3].[AlH3].[Ca+2].[Fe].[H-].[H-]
InChIInChI=1S/2Al.Ca.Fe.8H/q;;+2;;;;;;;;2*-1
InChIKeyQNHIPYOZGVXRIZ-UHFFFAOYSA-N
XLogP-2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.95
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;alumane;hydride;iron?
The IUPAC name of calcium;alumane;hydride;iron (CID 174578778) is calcium;alumane;hydride;iron.
What is the SMILES notation for calcium;alumane;hydride;iron?
The canonical SMILES for calcium;alumane;hydride;iron is [AlH3].[AlH3].[Ca+2].[Fe].[H-].[H-].
What is the InChIKey of calcium;alumane;hydride;iron?
The InChIKey is QNHIPYOZGVXRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.Ca.Fe.8H/q;;+2;;;;;;;;2*-1.
What are the key properties of calcium;alumane;hydride;iron?
calcium;alumane;hydride;iron has a molecular weight of 157.95 g/mol, XLogP of -2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;alumane;hydride;iron is sourced from PubChem (CID 174578778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).