magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)

C24H56Al2MgO8 — CID 16703266

IUPACmagnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)
SMILESCC(C)O[Al](OC(C)C)OC(C)C.CC(C)O[Al](OC(C)C)OC(C)C.CC(C)[O-].CC(C)[O-].[Mg+2]
InChIInChI=1S/8C3H7O.2Al.Mg/c8*1-3(2)4;;;/h8*3H,1-2H3;;;/q8*-1;2*+3;+2
InChIKeyJGPFUTJMRMPGRB-UHFFFAOYSA-N
MW550.97 g/mol
LogP3.62
Rot. Bonds12

About magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)

magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane) (PubChem CID 16703266) has the molecular formula C24H56Al2MgO8 and a molecular weight of 550.97 g/mol. Its IUPAC name is magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane).

Molecular Properties

Compound Namemagnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)
PubChem CID16703266
Molecular FormulaC24H56Al2MgO8
Molecular Weight550.97 g/mol
Exact Mass550.35
IUPAC Namemagnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)
SMILESCC(C)O[Al](OC(C)C)OC(C)C.CC(C)O[Al](OC(C)C)OC(C)C.CC(C)[O-].CC(C)[O-].[Mg+2]
InChIInChI=1S/8C3H7O.2Al.Mg/c8*1-3(2)4;;;/h8*3H,1-2H3;;;/q8*-1;2*+3;+2
InChIKeyJGPFUTJMRMPGRB-UHFFFAOYSA-N
XLogP3.62
TPSA101.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.97
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)?
The IUPAC name of magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane) (CID 16703266) is magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane).
What is the SMILES notation for magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)?
The canonical SMILES for magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane) is CC(C)O[Al](OC(C)C)OC(C)C.CC(C)O[Al](OC(C)C)OC(C)C.CC(C)[O-].CC(C)[O-].[Mg+2].
What is the InChIKey of magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)?
The InChIKey is JGPFUTJMRMPGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/8C3H7O.2Al.Mg/c8*1-3(2)4;;;/h8*3H,1-2H3;;;/q8*-1;2*+3;+2.
What are the key properties of magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane)?
magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane) has a molecular weight of 550.97 g/mol, XLogP of 3.62, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(propan-2-olate);bis(tri(propan-2-yloxy)alumane) is sourced from PubChem (CID 16703266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).