tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium

C20H52N4O8Zr — CID 71301328

IUPACtetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium
SMILESCN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO.[Zr]
InChIInChI=1S/4C5H13NO2.Zr/c4*1-6(2-4-7)3-5-8;/h4*7-8H,2-5H2,1H3;
InChIKeyPIKCJEJDHHOSMZ-UHFFFAOYSA-N
MW567.88 g/mol
LogP-4.39
Rot. Bonds16

About tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium

tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium (PubChem CID 71301328) has the molecular formula C20H52N4O8Zr and a molecular weight of 567.88 g/mol. Its IUPAC name is tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium.

Molecular Properties

Compound Nametetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium
PubChem CID71301328
Molecular FormulaC20H52N4O8Zr
Molecular Weight567.88 g/mol
Exact Mass566.28
IUPAC Nametetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium
SMILESCN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO.[Zr]
InChIInChI=1S/4C5H13NO2.Zr/c4*1-6(2-4-7)3-5-8;/h4*7-8H,2-5H2,1H3;
InChIKeyPIKCJEJDHHOSMZ-UHFFFAOYSA-N
XLogP-4.39
TPSA174.80 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500567.88
LogP ≤ 5-4.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium?
The IUPAC name of tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium (CID 71301328) is tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium.
What is the SMILES notation for tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium?
The canonical SMILES for tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium is CN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO.CN(CCO)CCO.[Zr].
What is the InChIKey of tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium?
The InChIKey is PIKCJEJDHHOSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H13NO2.Zr/c4*1-6(2-4-7)3-5-8;/h4*7-8H,2-5H2,1H3;.
What are the key properties of tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium?
tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium has a molecular weight of 567.88 g/mol, XLogP of -4.39, 16 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-[2-hydroxyethyl(methyl)amino]ethanol);zirconium is sourced from PubChem (CID 71301328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).