2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)

C6H15NO3TiZr+8 — CID 159674696

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
SMILESOCCN(CCO)CCO.[Ti+4].[Zr+4]
InChIInChI=1S/C6H15NO3.Ti.Zr/c8-4-1-7(2-5-9)3-6-10;;/h8-10H,1-6H2;;/q;2*+4
InChIKeyMULHCCSQHQGFQQ-UHFFFAOYSA-N
MW288.28 g/mol
LogP-1.74
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)

2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+) (PubChem CID 159674696) has the molecular formula C6H15NO3TiZr+8 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+).

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
PubChem CID159674696
Molecular FormulaC6H15NO3TiZr+8
Molecular Weight288.28 g/mol
Exact Mass286.95
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
SMILESOCCN(CCO)CCO.[Ti+4].[Zr+4]
InChIInChI=1S/C6H15NO3.Ti.Zr/c8-4-1-7(2-5-9)3-6-10;;/h8-10H,1-6H2;;/q;2*+4
InChIKeyMULHCCSQHQGFQQ-UHFFFAOYSA-N
XLogP-1.74
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
CID 173310471
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+) (CID 159674696) is 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+).
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+) is OCCN(CCO)CCO.[Ti+4].[Zr+4].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)?
The InChIKey is MULHCCSQHQGFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.Ti.Zr/c8-4-1-7(2-5-9)3-6-10;;/h8-10H,1-6H2;;/q;2*+4.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)?
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+) has a molecular weight of 288.28 g/mol, XLogP of -1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+) is sourced from PubChem (CID 159674696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).