bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)

C20H46N2O8Ti — CID 170850224

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)
SMILESCCCC[O-].CCCC[O-].[O-]CCN(CCO)CCO.[O-]CCN(CCO)CCO.[Ti+4]
InChIInChI=1S/2C6H14NO3.2C4H9O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-2-3-4-5;/h2*8-9H,1-6H2;2*2-4H2,1H3;/q4*-1;+4
InChIKeyDJJIFDZHRSNRCT-UHFFFAOYSA-N
MW490.46 g/mol
LogP-4.44
Rot. Bonds16

About bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)

bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+) (PubChem CID 170850224) has the molecular formula C20H46N2O8Ti and a molecular weight of 490.46 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+).

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)
PubChem CID170850224
Molecular FormulaC20H46N2O8Ti
Molecular Weight490.46 g/mol
Exact Mass490.27
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)
SMILESCCCC[O-].CCCC[O-].[O-]CCN(CCO)CCO.[O-]CCN(CCO)CCO.[Ti+4]
InChIInChI=1S/2C6H14NO3.2C4H9O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-2-3-4-5;/h2*8-9H,1-6H2;2*2-4H2,1H3;/q4*-1;+4
InChIKeyDJJIFDZHRSNRCT-UHFFFAOYSA-N
XLogP-4.44
TPSA179.64 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 5-4.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+) (CID 170850224) is bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+).
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+) is CCCC[O-].CCCC[O-].[O-]CCN(CCO)CCO.[O-]CCN(CCO)CCO.[Ti+4].
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)?
The InChIKey is DJJIFDZHRSNRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14NO3.2C4H9O.Ti/c2*8-4-1-7(2-5-9)3-6-10;2*1-2-3-4-5;/h2*8-9H,1-6H2;2*2-4H2,1H3;/q4*-1;+4.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+)?
bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+) has a molecular weight of 490.46 g/mol, XLogP of -4.44, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanolate);bis(butan-1-olate);titanium(4+) is sourced from PubChem (CID 170850224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).