dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium

C8H22NO7Ti+ — CID 87195022

IUPACdihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
SMILESO=[Ti](O)O.OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C8H20NO4.2H2O.O.Ti/c10-5-1-9(2-6-11,3-7-12)4-8-13;;;;/h10-13H,1-8H2;2*1H2;;/q+1;;;;+2/p-2
InChIKeyGECISPZIWLTBAZ-UHFFFAOYSA-L
MW292.13 g/mol
LogP-3.46
Rot. Bonds8

About dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium

dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium (PubChem CID 87195022) has the molecular formula C8H22NO7Ti+ and a molecular weight of 292.13 g/mol. Its IUPAC name is dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namedihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
PubChem CID87195022
Molecular FormulaC8H22NO7Ti+
Molecular Weight292.13 g/mol
Exact Mass292.09
IUPAC Namedihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium
SMILESO=[Ti](O)O.OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C8H20NO4.2H2O.O.Ti/c10-5-1-9(2-6-11,3-7-12)4-8-13;;;;/h10-13H,1-8H2;2*1H2;;/q+1;;;;+2/p-2
InChIKeyGECISPZIWLTBAZ-UHFFFAOYSA-L
XLogP-3.46
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.13
LogP ≤ 5-3.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2-hydroxyethyl)azanium bromide
CID 177465102
hydride;tetrakis(2-hydroxyethyl)azanium
CID 18517114
tris(tetrakis(2-hydroxyethyl)azanium);borate
CID 173421855
bis(2-carboxyethyl)-bis(2-hydroxyethyl)azanium
CID 126615249
2-carboxyethyl-tris(2-hydroxyethyl)azanium
CID 88894350
tris(2-hydroxyethyl)-[2-oxo-2-[2-[tris(2-hydroxyethyl)azaniumyl]acetyl]oxyethyl]azanium
CID 91021678
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
tris(carboxymethyl)-(2-hydroxyethyl)azanium
CID 10331654
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
3-[tris(2-hydroxyethyl)azaniumyl]propane-1-sulfonate
CID 20545744
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
2-hydroxyethyl(trioctyl)azanium chloride
CID 19925949

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium?
The IUPAC name of dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium (CID 87195022) is dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium.
What is the SMILES notation for dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium?
The canonical SMILES for dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium is O=[Ti](O)O.OCC[N+](CCO)(CCO)CCO.
What is the InChIKey of dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium?
The InChIKey is GECISPZIWLTBAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H20NO4.2H2O.O.Ti/c10-5-1-9(2-6-11,3-7-12)4-8-13;;;;/h10-13H,1-8H2;2*1H2;;/q+1;;;;+2/p-2.
What are the key properties of dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium?
dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium has a molecular weight of 292.13 g/mol, XLogP of -3.46, 8 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)titanium;tetrakis(2-hydroxyethyl)azanium is sourced from PubChem (CID 87195022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).