magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride

C10H25AlCl4MgO2Ti — CID 16684514

IUPACmagnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride
SMILESCC[Al](CC)CC.CC[O-].CC[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Mg+2].[Ti+4]
InChIInChI=1S/2C2H5O.3C2H5.Al.4ClH.Mg.Ti/c2*1-2-3;3*1-2;;;;;;;/h2*2H2,1H3;3*1H2,2H3;;4*1H;;/q2*-1;;;;;;;;;+2;+4/p-4
InChIKeyVAOHBMLCEKEJOZ-UHFFFAOYSA-J
MW418.27 g/mol
LogP-11.09
Rot. Bonds3

About magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride

magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride (PubChem CID 16684514) has the molecular formula C10H25AlCl4MgO2Ti and a molecular weight of 418.27 g/mol. Its IUPAC name is magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride.

Molecular Properties

Compound Namemagnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride
PubChem CID16684514
Molecular FormulaC10H25AlCl4MgO2Ti
Molecular Weight418.27 g/mol
Exact Mass415.98
IUPAC Namemagnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride
SMILESCC[Al](CC)CC.CC[O-].CC[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Mg+2].[Ti+4]
InChIInChI=1S/2C2H5O.3C2H5.Al.4ClH.Mg.Ti/c2*1-2-3;3*1-2;;;;;;;/h2*2H2,1H3;3*1H2,2H3;;4*1H;;/q2*-1;;;;;;;;;+2;+4/p-4
InChIKeyVAOHBMLCEKEJOZ-UHFFFAOYSA-J
XLogP-11.09
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 5-11.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride?
The IUPAC name of magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride (CID 16684514) is magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride.
What is the SMILES notation for magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride?
The canonical SMILES for magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride is CC[Al](CC)CC.CC[O-].CC[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Mg+2].[Ti+4].
What is the InChIKey of magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride?
The InChIKey is VAOHBMLCEKEJOZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H5O.3C2H5.Al.4ClH.Mg.Ti/c2*1-2-3;3*1-2;;;;;;;/h2*2H2,1H3;3*1H2,2H3;;4*1H;;/q2*-1;;;;;;;;;+2;+4/p-4.
What are the key properties of magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride?
magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride has a molecular weight of 418.27 g/mol, XLogP of -11.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethanolate;titanium(4+);triethylalumane;tetrachloride is sourced from PubChem (CID 16684514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).