aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride

C10H25AlCl4MgO2Ti — CID 6455950

IUPACaluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride
SMILESCC[O-].CC[O-].[Al+3].[CH2-]C.[CH2-]C.[CH2-]C.[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;;/q5*-1;+3;;;;;+2;+4/p-4
InChIKeyDYUWGMPKCPTYLW-UHFFFAOYSA-J
MW418.27 g/mol
LogP-11.49
Rot. Bonds

About aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride

aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride (PubChem CID 6455950) has the molecular formula C10H25AlCl4MgO2Ti and a molecular weight of 418.27 g/mol. Its IUPAC name is aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride.

Molecular Properties

Compound Namealuminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride
PubChem CID6455950
Molecular FormulaC10H25AlCl4MgO2Ti
Molecular Weight418.27 g/mol
Exact Mass415.98
IUPAC Namealuminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride
SMILESCC[O-].CC[O-].[Al+3].[CH2-]C.[CH2-]C.[CH2-]C.[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;;/q5*-1;+3;;;;;+2;+4/p-4
InChIKeyDYUWGMPKCPTYLW-UHFFFAOYSA-J
XLogP-11.49
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 5-11.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride?
The IUPAC name of aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride (CID 6455950) is aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride.
What is the SMILES notation for aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride?
The canonical SMILES for aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride is CC[O-].CC[O-].[Al+3].[CH2-]C.[CH2-]C.[CH2-]C.[Cl-].[Cl-].[Cl-].[Cl-].[Mg+2].[Ti+4].
What is the InChIKey of aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride?
The InChIKey is DYUWGMPKCPTYLW-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;;/q5*-1;+3;;;;;+2;+4/p-4.
What are the key properties of aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride?
aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride has a molecular weight of 418.27 g/mol, XLogP of -11.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;magnesium;ethane;ethanolate;titanium(4+);tetrachloride is sourced from PubChem (CID 6455950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).