calcium;dichlorotitanium;hydride

H2CaCl2Ti — CID 174655191

IUPACcalcium;dichlorotitanium;hydride
SMILESCl[Ti]Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.2ClH.Ti.2H/h;2*1H;;;/q+2;;;+2;2*-1/p-2
InChIKeyJZOHGVHBZWXTGY-UHFFFAOYSA-L
MW160.87 g/mol
LogP1.22
Rot. Bonds

About calcium;dichlorotitanium;hydride

calcium;dichlorotitanium;hydride (PubChem CID 174655191) has the molecular formula H2CaCl2Ti and a molecular weight of 160.87 g/mol. Its IUPAC name is calcium;dichlorotitanium;hydride.

Molecular Properties

Compound Namecalcium;dichlorotitanium;hydride
PubChem CID174655191
Molecular FormulaH2CaCl2Ti
Molecular Weight160.87 g/mol
Exact Mass159.86
IUPAC Namecalcium;dichlorotitanium;hydride
SMILESCl[Ti]Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/Ca.2ClH.Ti.2H/h;2*1H;;;/q+2;;;+2;2*-1/p-2
InChIKeyJZOHGVHBZWXTGY-UHFFFAOYSA-L
XLogP1.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.87
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;dichlorotitanium;hydride?
The IUPAC name of calcium;dichlorotitanium;hydride (CID 174655191) is calcium;dichlorotitanium;hydride.
What is the SMILES notation for calcium;dichlorotitanium;hydride?
The canonical SMILES for calcium;dichlorotitanium;hydride is Cl[Ti]Cl.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;dichlorotitanium;hydride?
The InChIKey is JZOHGVHBZWXTGY-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2ClH.Ti.2H/h;2*1H;;;/q+2;;;+2;2*-1/p-2.
What are the key properties of calcium;dichlorotitanium;hydride?
calcium;dichlorotitanium;hydride has a molecular weight of 160.87 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dichlorotitanium;hydride is sourced from PubChem (CID 174655191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).