calcium;hydride;titanium;hydrate

H4CaOTi — CID 173091330

IUPACcalcium;hydride;titanium;hydrate
SMILESO.[Ca+2].[H-].[H-].[Ti]
InChIInChI=1S/Ca.H2O.Ti.2H/h;1H2;;;/q+2;;;2*-1
InChIKeyRSHIRTDILNOVKB-UHFFFAOYSA-N
MW107.98 g/mol
LogP-0.98
Rot. Bonds

About calcium;hydride;titanium;hydrate

calcium;hydride;titanium;hydrate (PubChem CID 173091330) has the molecular formula H4CaOTi and a molecular weight of 107.98 g/mol. Its IUPAC name is calcium;hydride;titanium;hydrate.

Molecular Properties

Compound Namecalcium;hydride;titanium;hydrate
PubChem CID173091330
Molecular FormulaH4CaOTi
Molecular Weight107.98 g/mol
Exact Mass107.94
IUPAC Namecalcium;hydride;titanium;hydrate
SMILESO.[Ca+2].[H-].[H-].[Ti]
InChIInChI=1S/Ca.H2O.Ti.2H/h;1H2;;;/q+2;;;2*-1
InChIKeyRSHIRTDILNOVKB-UHFFFAOYSA-N
XLogP-0.98
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.98
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;titanium;hydrate?
The IUPAC name of calcium;hydride;titanium;hydrate (CID 173091330) is calcium;hydride;titanium;hydrate.
What is the SMILES notation for calcium;hydride;titanium;hydrate?
The canonical SMILES for calcium;hydride;titanium;hydrate is O.[Ca+2].[H-].[H-].[Ti].
What is the InChIKey of calcium;hydride;titanium;hydrate?
The InChIKey is RSHIRTDILNOVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.H2O.Ti.2H/h;1H2;;;/q+2;;;2*-1.
What are the key properties of calcium;hydride;titanium;hydrate?
calcium;hydride;titanium;hydrate has a molecular weight of 107.98 g/mol, XLogP of -0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;titanium;hydrate is sourced from PubChem (CID 173091330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).