tris(ethane-1,2-diol);titanium;bis(trichlorotitanium)

C6H18Cl6O6Ti4 — CID 159390508

IUPACtris(ethane-1,2-diol);titanium;bis(trichlorotitanium)
SMILESCl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.OCCO.OCCO.OCCO.[Ti].[Ti]
InChIInChI=1S/3C2H6O2.6ClH.4Ti/c3*3-1-2-4;;;;;;;;;;/h3*3-4H,1-2H2;6*1H;;;;/q;;;;;;;;;;;2*+3/p-6
InChIKeyTXBWUAPLTNOSCS-UHFFFAOYSA-H
MW590.39 g/mol
LogP1.04
Rot. Bonds3

About tris(ethane-1,2-diol);titanium;bis(trichlorotitanium)

tris(ethane-1,2-diol);titanium;bis(trichlorotitanium) (PubChem CID 159390508) has the molecular formula C6H18Cl6O6Ti4 and a molecular weight of 590.39 g/mol. Its IUPAC name is tris(ethane-1,2-diol);titanium;bis(trichlorotitanium).

Molecular Properties

Compound Nametris(ethane-1,2-diol);titanium;bis(trichlorotitanium)
PubChem CID159390508
Molecular FormulaC6H18Cl6O6Ti4
Molecular Weight590.39 g/mol
Exact Mass587.72
IUPAC Nametris(ethane-1,2-diol);titanium;bis(trichlorotitanium)
SMILESCl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.OCCO.OCCO.OCCO.[Ti].[Ti]
InChIInChI=1S/3C2H6O2.6ClH.4Ti/c3*3-1-2-4;;;;;;;;;;/h3*3-4H,1-2H2;6*1H;;;;/q;;;;;;;;;;;2*+3/p-6
InChIKeyTXBWUAPLTNOSCS-UHFFFAOYSA-H
XLogP1.04
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.39
LogP ≤ 51.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze tris(ethane-1,2-diol);titanium;bis(trichlorotitanium) with MolForge

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

Launch Full Analysis

Related Compounds

ethane-1,2-diol;tetrahydrochloride
CID 19917613
ethane-1,2-diol;silane
CID 159802659
ethane-1,2-diol;dihydrochloride
CID 88711440
ethane-1,2-diol;palladium(2+)
CID 175783555
ethane-1,2-diol;titanium(4+)
CID 21124602
Ethylene glycol monosodium salt
CID 86592871
ethane-1,2-diol;rhenium
CID 175749522
CID 87524640
CID 87524640
ethane-1,2-diol;trihydrochloride
CID 172793976
chlorogold;ethane-1,2-diol;hexahydrate
CID 174492265
chlorogold;ethane-1,2-diol;tetrahydrate
CID 174580073
ethane-1,2-diol;ruthenium;trihydrochloride
CID 174394389

Frequently Asked Questions

What is the IUPAC name of tris(ethane-1,2-diol);titanium;bis(trichlorotitanium)?
The IUPAC name of tris(ethane-1,2-diol);titanium;bis(trichlorotitanium) (CID 159390508) is tris(ethane-1,2-diol);titanium;bis(trichlorotitanium).
What is the SMILES notation for tris(ethane-1,2-diol);titanium;bis(trichlorotitanium)?
The canonical SMILES for tris(ethane-1,2-diol);titanium;bis(trichlorotitanium) is Cl[Ti](Cl)Cl.Cl[Ti](Cl)Cl.OCCO.OCCO.OCCO.[Ti].[Ti].
What is the InChIKey of tris(ethane-1,2-diol);titanium;bis(trichlorotitanium)?
The InChIKey is TXBWUAPLTNOSCS-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H6O2.6ClH.4Ti/c3*3-1-2-4;;;;;;;;;;/h3*3-4H,1-2H2;6*1H;;;;/q;;;;;;;;;;;2*+3/p-6.
What are the key properties of tris(ethane-1,2-diol);titanium;bis(trichlorotitanium)?
tris(ethane-1,2-diol);titanium;bis(trichlorotitanium) has a molecular weight of 590.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethane-1,2-diol);titanium;bis(trichlorotitanium) is sourced from PubChem (CID 159390508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).