alumane;iron

H21Al7Fe9 — CID 71366392

IUPACalumane;iron
SMILES[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/7Al.9Fe.21H
InChIKeyLNUKDUOJLPDNRE-UHFFFAOYSA-N
MW712.65 g/mol
LogP-8.31
Rot. Bonds

About alumane;iron

alumane;iron (PubChem CID 71366392) has the molecular formula H21Al7Fe9 and a molecular weight of 712.65 g/mol. Its IUPAC name is alumane;iron.

Molecular Properties

Compound Namealumane;iron
PubChem CID71366392
Molecular FormulaH21Al7Fe9
Molecular Weight712.65 g/mol
Exact Mass713.45
IUPAC Namealumane;iron
SMILES[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/7Al.9Fe.21H
InChIKeyLNUKDUOJLPDNRE-UHFFFAOYSA-N
XLogP-8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.65
LogP ≤ 5-8.31
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 alumane;iron?
The IUPAC name of alumane;iron (CID 71366392) is alumane;iron.
What is the SMILES notation for alumane;iron?
The canonical SMILES for alumane;iron is [AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[AlH3].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of alumane;iron?
The InChIKey is LNUKDUOJLPDNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/7Al.9Fe.21H.
What are the key properties of alumane;iron?
alumane;iron has a molecular weight of 712.65 g/mol, XLogP of -8.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;iron is sourced from PubChem (CID 71366392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).