calcium;alumane;hydride;octahydrate

H21AlCaO8 — CID 175590260

IUPACcalcium;alumane;hydride;octahydrate
SMILESO.O.O.O.O.O.O.O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.8H2O.5H/h;;8*1H2;;;;;/q;+2;;;;;;;;;;;;2*-1
InChIKeyPRHKNSLNFKZRMQ-UHFFFAOYSA-N
MW216.22 g/mol
LogP-7.94
Rot. Bonds

About calcium;alumane;hydride;octahydrate

calcium;alumane;hydride;octahydrate (PubChem CID 175590260) has the molecular formula H21AlCaO8 and a molecular weight of 216.22 g/mol. Its IUPAC name is calcium;alumane;hydride;octahydrate.

Molecular Properties

Compound Namecalcium;alumane;hydride;octahydrate
PubChem CID175590260
Molecular FormulaH21AlCaO8
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Namecalcium;alumane;hydride;octahydrate
SMILESO.O.O.O.O.O.O.O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.8H2O.5H/h;;8*1H2;;;;;/q;+2;;;;;;;;;;;;2*-1
InChIKeyPRHKNSLNFKZRMQ-UHFFFAOYSA-N
XLogP-7.94
TPSA252.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-7.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;alumane;hydride;octahydrate?
The IUPAC name of calcium;alumane;hydride;octahydrate (CID 175590260) is calcium;alumane;hydride;octahydrate.
What is the SMILES notation for calcium;alumane;hydride;octahydrate?
The canonical SMILES for calcium;alumane;hydride;octahydrate is O.O.O.O.O.O.O.O.[AlH3].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;alumane;hydride;octahydrate?
The InChIKey is PRHKNSLNFKZRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.8H2O.5H/h;;8*1H2;;;;;/q;+2;;;;;;;;;;;;2*-1.
What are the key properties of calcium;alumane;hydride;octahydrate?
calcium;alumane;hydride;octahydrate has a molecular weight of 216.22 g/mol, XLogP of -7.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;alumane;hydride;octahydrate is sourced from PubChem (CID 175590260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).