dicalcium;hydride;oxotitanium

H4Ca2O2Ti2 — CID 174941294

IUPACdicalcium;hydride;oxotitanium
SMILESO=[Ti].O=[Ti].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.2O.2Ti.4H/q2*+2;;;;;4*-1
InChIKeyLZZVEBAXIUKJHG-UHFFFAOYSA-N
MW211.92 g/mol
LogP-0.55
Rot. Bonds

About dicalcium;hydride;oxotitanium

dicalcium;hydride;oxotitanium (PubChem CID 174941294) has the molecular formula H4Ca2O2Ti2 and a molecular weight of 211.92 g/mol. Its IUPAC name is dicalcium;hydride;oxotitanium.

Molecular Properties

Compound Namedicalcium;hydride;oxotitanium
PubChem CID174941294
Molecular FormulaH4Ca2O2Ti2
Molecular Weight211.92 g/mol
Exact Mass211.84
IUPAC Namedicalcium;hydride;oxotitanium
SMILESO=[Ti].O=[Ti].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-]
InChIInChI=1S/2Ca.2O.2Ti.4H/q2*+2;;;;;4*-1
InChIKeyLZZVEBAXIUKJHG-UHFFFAOYSA-N
XLogP-0.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.92
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dicalcium;hydride;oxotitanium?
The IUPAC name of dicalcium;hydride;oxotitanium (CID 174941294) is dicalcium;hydride;oxotitanium.
What is the SMILES notation for dicalcium;hydride;oxotitanium?
The canonical SMILES for dicalcium;hydride;oxotitanium is O=[Ti].O=[Ti].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].
What is the InChIKey of dicalcium;hydride;oxotitanium?
The InChIKey is LZZVEBAXIUKJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.2O.2Ti.4H/q2*+2;;;;;4*-1.
What are the key properties of dicalcium;hydride;oxotitanium?
dicalcium;hydride;oxotitanium has a molecular weight of 211.92 g/mol, XLogP of -0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;hydride;oxotitanium is sourced from PubChem (CID 174941294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).