magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium

C8H22MgO3Ti — CID 173453597

IUPACmagnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium
SMILESCC(C)CO.CC(C)CO.O=[Ti].[H-].[H-].[Mg+2]
InChIInChI=1S/2C4H10O.Mg.O.Ti.2H/c2*1-4(2)3-5;;;;;/h2*4-5H,3H2,1-2H3;;;;;/q;;+2;;;2*-1
InChIKeyXMPGGCLFGGNPOP-UHFFFAOYSA-N
MW238.43 g/mol
LogP0.99
Rot. Bonds2

About magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium

magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium (PubChem CID 173453597) has the molecular formula C8H22MgO3Ti and a molecular weight of 238.43 g/mol. Its IUPAC name is magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium.

Molecular Properties

Compound Namemagnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium
PubChem CID173453597
Molecular FormulaC8H22MgO3Ti
Molecular Weight238.43 g/mol
Exact Mass238.09
IUPAC Namemagnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium
SMILESCC(C)CO.CC(C)CO.O=[Ti].[H-].[H-].[Mg+2]
InChIInChI=1S/2C4H10O.Mg.O.Ti.2H/c2*1-4(2)3-5;;;;;/h2*4-5H,3H2,1-2H3;;;;;/q;;+2;;;2*-1
InChIKeyXMPGGCLFGGNPOP-UHFFFAOYSA-N
XLogP0.99
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium?
The IUPAC name of magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium (CID 173453597) is magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium.
What is the SMILES notation for magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium?
The canonical SMILES for magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium is CC(C)CO.CC(C)CO.O=[Ti].[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium?
The InChIKey is XMPGGCLFGGNPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.Mg.O.Ti.2H/c2*1-4(2)3-5;;;;;/h2*4-5H,3H2,1-2H3;;;;;/q;;+2;;;2*-1.
What are the key properties of magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium?
magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium has a molecular weight of 238.43 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;bis(2-methylpropan-1-ol);oxotitanium is sourced from PubChem (CID 173453597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).