magnesium bis(propan-2-olate)

C6H14MgO2 — CID 10197750

IUPACmagnesium bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Mg+2]
InChIInChI=1S/2C3H7O.Mg/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyORPJQHHQRCLVIC-UHFFFAOYSA-N
MW142.48 g/mol
LogP-0.87
Rot. Bonds

About magnesium bis(propan-2-olate)

magnesium bis(propan-2-olate) (PubChem CID 10197750) has the molecular formula C6H14MgO2 and a molecular weight of 142.48 g/mol. Its IUPAC name is magnesium bis(propan-2-olate).

Molecular Properties

Compound Namemagnesium bis(propan-2-olate)
PubChem CID10197750
Molecular FormulaC6H14MgO2
Molecular Weight142.48 g/mol
Exact Mass142.08
IUPAC Namemagnesium bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Mg+2]
InChIInChI=1S/2C3H7O.Mg/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyORPJQHHQRCLVIC-UHFFFAOYSA-N
XLogP-0.87
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.48
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium bis(propan-2-olate)?
The IUPAC name of magnesium bis(propan-2-olate) (CID 10197750) is magnesium bis(propan-2-olate).
What is the SMILES notation for magnesium bis(propan-2-olate)?
The canonical SMILES for magnesium bis(propan-2-olate) is CC(C)[O-].CC(C)[O-].[Mg+2].
What is the InChIKey of magnesium bis(propan-2-olate)?
The InChIKey is ORPJQHHQRCLVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.Mg/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of magnesium bis(propan-2-olate)?
magnesium bis(propan-2-olate) has a molecular weight of 142.48 g/mol, XLogP of -0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(propan-2-olate) is sourced from PubChem (CID 10197750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).