Calcium;alumane;hydride;iron

H₈Al₂CaFe — CID 174578778

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 Name: Calcium;alumane;hydride;iron
• PubChem CID: 174578778
• Molecular Formula: H₈Al₂CaFe
• Molecular Weight: 157.95 g/mol
• Exact Mass: 157.92
• IUPAC Name: calcium;alumane;hydride;iron
• SMILES: [AlH3].[AlH3].[Ca+2].[Fe].[H-].[H-]
• InChI: InChI=1S/2Al.Ca.Fe.8H/q;;+2;;;;;;;;2*-1
• InChIKey: QNHIPYOZGVXRIZ-UHFFFAOYSA-N
• XLogP: -2.53
• TPSA: 0.00 Ų
• Heavy Atoms: 4
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.95
LogP ≤ 5	-2.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 174578778 — identifiers, structure, computed properties (public domain)

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