bis(dioxotitanium);hydrogen peroxide;titanium

H2O6Ti3 — CID 174459210

IUPACbis(dioxotitanium);hydrogen peroxide;titanium
SMILESO=[Ti]=O.O=[Ti]=O.OO.[Ti]
InChIInChI=1S/H2O2.4O.3Ti/c1-2;;;;;;;/h1-2H;;;;;;;
InChIKeyFWGKWDITMISOKD-UHFFFAOYSA-N
MW241.61 g/mol
LogP-0.47
Rot. Bonds

About bis(dioxotitanium);hydrogen peroxide;titanium

bis(dioxotitanium);hydrogen peroxide;titanium (PubChem CID 174459210) has the molecular formula H2O6Ti3 and a molecular weight of 241.61 g/mol. Its IUPAC name is bis(dioxotitanium);hydrogen peroxide;titanium.

Molecular Properties

Compound Namebis(dioxotitanium);hydrogen peroxide;titanium
PubChem CID174459210
Molecular FormulaH2O6Ti3
Molecular Weight241.61 g/mol
Exact Mass241.83
IUPAC Namebis(dioxotitanium);hydrogen peroxide;titanium
SMILESO=[Ti]=O.O=[Ti]=O.OO.[Ti]
InChIInChI=1S/H2O2.4O.3Ti/c1-2;;;;;;;/h1-2H;;;;;;;
InChIKeyFWGKWDITMISOKD-UHFFFAOYSA-N
XLogP-0.47
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.61
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dioxotitanium);hydrogen peroxide;titanium?
The IUPAC name of bis(dioxotitanium);hydrogen peroxide;titanium (CID 174459210) is bis(dioxotitanium);hydrogen peroxide;titanium.
What is the SMILES notation for bis(dioxotitanium);hydrogen peroxide;titanium?
The canonical SMILES for bis(dioxotitanium);hydrogen peroxide;titanium is O=[Ti]=O.O=[Ti]=O.OO.[Ti].
What is the InChIKey of bis(dioxotitanium);hydrogen peroxide;titanium?
The InChIKey is FWGKWDITMISOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O2.4O.3Ti/c1-2;;;;;;;/h1-2H;;;;;;;.
What are the key properties of bis(dioxotitanium);hydrogen peroxide;titanium?
bis(dioxotitanium);hydrogen peroxide;titanium has a molecular weight of 241.61 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioxotitanium);hydrogen peroxide;titanium is sourced from PubChem (CID 174459210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).