tricalcium;hydride;dihydrochloride

H8Ca3Cl2 — CID 173391877

IUPACtricalcium;hydride;dihydrochloride
SMILESCl.Cl.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/3Ca.2ClH.6H/h;;;2*1H;;;;;;/q3*+2;;;6*-1
InChIKeyIRTCZWWAPPFXPG-UHFFFAOYSA-N
MW199.20 g/mol
LogP0.38
Rot. Bonds

About tricalcium;hydride;dihydrochloride

tricalcium;hydride;dihydrochloride (PubChem CID 173391877) has the molecular formula H8Ca3Cl2 and a molecular weight of 199.20 g/mol. Its IUPAC name is tricalcium;hydride;dihydrochloride.

Molecular Properties

Compound Nametricalcium;hydride;dihydrochloride
PubChem CID173391877
Molecular FormulaH8Ca3Cl2
Molecular Weight199.20 g/mol
Exact Mass197.89
IUPAC Nametricalcium;hydride;dihydrochloride
SMILESCl.Cl.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/3Ca.2ClH.6H/h;;;2*1H;;;;;;/q3*+2;;;6*-1
InChIKeyIRTCZWWAPPFXPG-UHFFFAOYSA-N
XLogP0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricalcium;hydride;dihydrochloride?
The IUPAC name of tricalcium;hydride;dihydrochloride (CID 173391877) is tricalcium;hydride;dihydrochloride.
What is the SMILES notation for tricalcium;hydride;dihydrochloride?
The canonical SMILES for tricalcium;hydride;dihydrochloride is Cl.Cl.[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of tricalcium;hydride;dihydrochloride?
The InChIKey is IRTCZWWAPPFXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/3Ca.2ClH.6H/h;;;2*1H;;;;;;/q3*+2;;;6*-1.
What are the key properties of tricalcium;hydride;dihydrochloride?
tricalcium;hydride;dihydrochloride has a molecular weight of 199.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;hydride;dihydrochloride is sourced from PubChem (CID 173391877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).