pentamagnesium;ethanolate;titanium;octachloride

C4H10Cl8Mg5O2Ti2 — CID 173419554

IUPACpentamagnesium;ethanolate;titanium;octachloride
SMILESCC[O-].CC[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Ti].[Ti]
InChIInChI=1S/2C2H5O.8ClH.5Mg.2Ti/c2*1-2-3;;;;;;;;;;;;;;;/h2*2H2,1H3;8*1H;;;;;;;/q2*-1;;;;;;;;;5*+2;;/p-8
InChIKeyOXZHERLJWTVXDC-UHFFFAOYSA-F
MW591.00 g/mol
LogP-27.14
Rot. Bonds

About pentamagnesium;ethanolate;titanium;octachloride

pentamagnesium;ethanolate;titanium;octachloride (PubChem CID 173419554) has the molecular formula C4H10Cl8Mg5O2Ti2 and a molecular weight of 591.00 g/mol. Its IUPAC name is pentamagnesium;ethanolate;titanium;octachloride.

Molecular Properties

Compound Namepentamagnesium;ethanolate;titanium;octachloride
PubChem CID173419554
Molecular FormulaC4H10Cl8Mg5O2Ti2
Molecular Weight591.00 g/mol
Exact Mass585.64
IUPAC Namepentamagnesium;ethanolate;titanium;octachloride
SMILESCC[O-].CC[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Ti].[Ti]
InChIInChI=1S/2C2H5O.8ClH.5Mg.2Ti/c2*1-2-3;;;;;;;;;;;;;;;/h2*2H2,1H3;8*1H;;;;;;;/q2*-1;;;;;;;;;5*+2;;/p-8
InChIKeyOXZHERLJWTVXDC-UHFFFAOYSA-F
XLogP-27.14
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.00
LogP ≤ 5-27.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentamagnesium;ethanolate;titanium;octachloride?
The IUPAC name of pentamagnesium;ethanolate;titanium;octachloride (CID 173419554) is pentamagnesium;ethanolate;titanium;octachloride.
What is the SMILES notation for pentamagnesium;ethanolate;titanium;octachloride?
The canonical SMILES for pentamagnesium;ethanolate;titanium;octachloride is CC[O-].CC[O-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Ti].[Ti].
What is the InChIKey of pentamagnesium;ethanolate;titanium;octachloride?
The InChIKey is OXZHERLJWTVXDC-UHFFFAOYSA-F. The full InChI is InChI=1S/2C2H5O.8ClH.5Mg.2Ti/c2*1-2-3;;;;;;;;;;;;;;;/h2*2H2,1H3;8*1H;;;;;;;/q2*-1;;;;;;;;;5*+2;;/p-8.
What are the key properties of pentamagnesium;ethanolate;titanium;octachloride?
pentamagnesium;ethanolate;titanium;octachloride has a molecular weight of 591.00 g/mol, XLogP of -27.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentamagnesium;ethanolate;titanium;octachloride is sourced from PubChem (CID 173419554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).