calcium;hydride;oxoalumane;oxosilane

H5AlCaO2Si — CID 174379691

IUPACcalcium;hydride;oxoalumane;oxosilane
SMILESO=[AlH].O=[SiH2].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.H2OSi.O.3H/c;;1-2;;;;/h;;2H2;;;;/q;+2;;;;2*-1
InChIKeyUWPGLTKQTRNPEF-UHFFFAOYSA-N
MW132.18 g/mol
LogP-1.96
Rot. Bonds

About calcium;hydride;oxoalumane;oxosilane

calcium;hydride;oxoalumane;oxosilane (PubChem CID 174379691) has the molecular formula H5AlCaO2Si and a molecular weight of 132.18 g/mol. Its IUPAC name is calcium;hydride;oxoalumane;oxosilane.

Molecular Properties

Compound Namecalcium;hydride;oxoalumane;oxosilane
PubChem CID174379691
Molecular FormulaH5AlCaO2Si
Molecular Weight132.18 g/mol
Exact Mass131.95
IUPAC Namecalcium;hydride;oxoalumane;oxosilane
SMILESO=[AlH].O=[SiH2].[Ca+2].[H-].[H-]
InChIInChI=1S/Al.Ca.H2OSi.O.3H/c;;1-2;;;;/h;;2H2;;;;/q;+2;;;;2*-1
InChIKeyUWPGLTKQTRNPEF-UHFFFAOYSA-N
XLogP-1.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-1.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174781867
CID 174781867
oxoalumane
CID 174400060
sodium;alumane;fluoroalumane;hydride;oxoalumane
CID 174626956
magnesium;alumane;hydride;oxosilane
CID 173168624
lithium;cobalt;hydride;oxoalumane
CID 173111645
barium(2+);hydride;oxosilane;hydrate
CID 173372187
lithium;hydride;oxosilane;titanium
CID 175416654
calcium;oxoalumane;titanium;difluoride
CID 174834379
dilithium;cobalt;hydride;nickel;oxoalumane
CID 174955826
CID 173009216
CID 173009216
oxoalumane;trihydrate
CID 22794332
alumane;oxoalumane;dihydrate
CID 174757343

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;oxoalumane;oxosilane?
The IUPAC name of calcium;hydride;oxoalumane;oxosilane (CID 174379691) is calcium;hydride;oxoalumane;oxosilane.
What is the SMILES notation for calcium;hydride;oxoalumane;oxosilane?
The canonical SMILES for calcium;hydride;oxoalumane;oxosilane is O=[AlH].O=[SiH2].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;oxoalumane;oxosilane?
The InChIKey is UWPGLTKQTRNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Ca.H2OSi.O.3H/c;;1-2;;;;/h;;2H2;;;;/q;+2;;;;2*-1.
What are the key properties of calcium;hydride;oxoalumane;oxosilane?
calcium;hydride;oxoalumane;oxosilane has a molecular weight of 132.18 g/mol, XLogP of -1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;oxoalumane;oxosilane is sourced from PubChem (CID 174379691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).