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

C12H30N2O6Zr+4 — CID 156599320

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+)
SMILESOCCN(CCO)CCO.OCCN(CCO)CCO.[Zr+4]
InChIInChI=1S/2C6H15NO3.Zr/c2*8-4-1-7(2-5-9)3-6-10;/h2*8-10H,1-6H2;/q;;+4
InChIKeyHMOBIMQXMALKKG-UHFFFAOYSA-N
MW389.60 g/mol
LogP-3.47
Rot. Bonds12

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

bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+) (PubChem CID 156599320) has the molecular formula C12H30N2O6Zr+4 and a molecular weight of 389.60 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+).

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+)
PubChem CID156599320
Molecular FormulaC12H30N2O6Zr+4
Molecular Weight389.60 g/mol
Exact Mass388.11
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+)
SMILESOCCN(CCO)CCO.OCCN(CCO)CCO.[Zr+4]
InChIInChI=1S/2C6H15NO3.Zr/c2*8-4-1-7(2-5-9)3-6-10;/h2*8-10H,1-6H2;/q;;+4
InChIKeyHMOBIMQXMALKKG-UHFFFAOYSA-N
XLogP-3.47
TPSA127.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.60
LogP ≤ 5-3.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+)?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+) (CID 156599320) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+).
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+)?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+) is OCCN(CCO)CCO.OCCN(CCO)CCO.[Zr+4].
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+)?
The InChIKey is HMOBIMQXMALKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15NO3.Zr/c2*8-4-1-7(2-5-9)3-6-10;/h2*8-10H,1-6H2;/q;;+4.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+)?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+) has a molecular weight of 389.60 g/mol, XLogP of -3.47, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);zirconium(4+) is sourced from PubChem (CID 156599320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).