tricalcium;alumane;hydride

H9AlCa3 — CID 173053859

IUPACtricalcium;alumane;hydride
SMILES[AlH3].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/Al.3Ca.9H/q;3*+2;;;;6*-1
InChIKeyBCTCSDWBXGWJSD-UHFFFAOYSA-N
MW156.29 g/mol
LogP-1.65
Rot. Bonds

About tricalcium;alumane;hydride

tricalcium;alumane;hydride (PubChem CID 173053859) has the molecular formula H9AlCa3 and a molecular weight of 156.29 g/mol. Its IUPAC name is tricalcium;alumane;hydride.

Molecular Properties

Compound Nametricalcium;alumane;hydride
PubChem CID173053859
Molecular FormulaH9AlCa3
Molecular Weight156.29 g/mol
Exact Mass155.94
IUPAC Nametricalcium;alumane;hydride
SMILES[AlH3].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/Al.3Ca.9H/q;3*+2;;;;6*-1
InChIKeyBCTCSDWBXGWJSD-UHFFFAOYSA-N
XLogP-1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tricalcium;alumane;hydride?
The IUPAC name of tricalcium;alumane;hydride (CID 173053859) is tricalcium;alumane;hydride.
What is the SMILES notation for tricalcium;alumane;hydride?
The canonical SMILES for tricalcium;alumane;hydride is [AlH3].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of tricalcium;alumane;hydride?
The InChIKey is BCTCSDWBXGWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.3Ca.9H/q;3*+2;;;;6*-1.
What are the key properties of tricalcium;alumane;hydride?
tricalcium;alumane;hydride has a molecular weight of 156.29 g/mol, XLogP of -1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;alumane;hydride is sourced from PubChem (CID 173053859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).