calcium;alumane;hydride;hydrate

H7AlCaO — CID 173007475

IUPACcalcium;alumane;hydride;hydrate
SMILESO.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.H2O.5H/h;;1H2;;;;;/q;+2;;;;;2*-1
InChIKeyDWSXEQSKICAKEB-UHFFFAOYSA-N
MW90.11 g/mol
LogP-2.16
Rot. Bonds

About calcium;alumane;hydride;hydrate

calcium;alumane;hydride;hydrate (PubChem CID 173007475) has the molecular formula H7AlCaO and a molecular weight of 90.11 g/mol. Its IUPAC name is calcium;alumane;hydride;hydrate.

Molecular Properties

Compound Namecalcium;alumane;hydride;hydrate
PubChem CID173007475
Molecular FormulaH7AlCaO
Molecular Weight90.11 g/mol
Exact Mass89.99
IUPAC Namecalcium;alumane;hydride;hydrate
SMILESO.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.H2O.5H/h;;1H2;;;;;/q;+2;;;;;2*-1
InChIKeyDWSXEQSKICAKEB-UHFFFAOYSA-N
XLogP-2.16
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.11
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;alumane;hydride;hydrate?
The IUPAC name of calcium;alumane;hydride;hydrate (CID 173007475) is calcium;alumane;hydride;hydrate.
What is the SMILES notation for calcium;alumane;hydride;hydrate?
The canonical SMILES for calcium;alumane;hydride;hydrate is O.[AlH3].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;alumane;hydride;hydrate?
The InChIKey is DWSXEQSKICAKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.H2O.5H/h;;1H2;;;;;/q;+2;;;;;2*-1.
What are the key properties of calcium;alumane;hydride;hydrate?
calcium;alumane;hydride;hydrate has a molecular weight of 90.11 g/mol, XLogP of -2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;alumane;hydride;hydrate is sourced from PubChem (CID 173007475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).