calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide

H4Al2CaO4 — CID 172878176

IUPACcalcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide
SMILES[AlH+2].[AlH+2].[Ca+2].[O-2].[O-2].[OH-].[OH-]
InChIInChI=1S/2Al.Ca.2H2O.2O.2H/h;;;2*1H2;;;;/q3*+2;;;2*-2;;/p-2
InChIKeyQFSZQGXALNGSAJ-UHFFFAOYSA-L
MW162.07 g/mol
LogP-2.27
Rot. Bonds

About calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide

calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide (PubChem CID 172878176) has the molecular formula H4Al2CaO4 and a molecular weight of 162.07 g/mol. Its IUPAC name is calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide.

Molecular Properties

Compound Namecalcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide
PubChem CID172878176
Molecular FormulaH4Al2CaO4
Molecular Weight162.07 g/mol
Exact Mass161.94
IUPAC Namecalcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide
SMILES[AlH+2].[AlH+2].[Ca+2].[O-2].[O-2].[OH-].[OH-]
InChIInChI=1S/2Al.Ca.2H2O.2O.2H/h;;;2*1H2;;;;/q3*+2;;;2*-2;;/p-2
InChIKeyQFSZQGXALNGSAJ-UHFFFAOYSA-L
XLogP-2.27
TPSA117.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.07
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide?
The IUPAC name of calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide (CID 172878176) is calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide.
What is the SMILES notation for calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide?
The canonical SMILES for calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide is [AlH+2].[AlH+2].[Ca+2].[O-2].[O-2].[OH-].[OH-].
What is the InChIKey of calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide?
The InChIKey is QFSZQGXALNGSAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2Al.Ca.2H2O.2O.2H/h;;;2*1H2;;;;/q3*+2;;;2*-2;;/p-2.
What are the key properties of calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide?
calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide has a molecular weight of 162.07 g/mol, XLogP of -2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(aluminum(2+) monohydride);bis(oxygen(2-));dihydroxide is sourced from PubChem (CID 172878176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).