magnesium;ethanolate;2-methylpropan-1-olate

C6H14MgO2 — CID 18702161

IUPACmagnesium;ethanolate;2-methylpropan-1-olate
SMILESCC(C)C[O-].CC[O-].[Mg+2]
InChIInChI=1S/C4H9O.C2H5O.Mg/c1-4(2)3-5;1-2-3;/h4H,3H2,1-2H3;2H2,1H3;/q2*-1;+2
InChIKeyZWPMNIKELFUJFK-UHFFFAOYSA-N
MW142.48 g/mol
LogP-1.01
Rot. Bonds1

About magnesium;ethanolate;2-methylpropan-1-olate

magnesium;ethanolate;2-methylpropan-1-olate (PubChem CID 18702161) has the molecular formula C6H14MgO2 and a molecular weight of 142.48 g/mol. Its IUPAC name is magnesium;ethanolate;2-methylpropan-1-olate.

Molecular Properties

Compound Namemagnesium;ethanolate;2-methylpropan-1-olate
PubChem CID18702161
Molecular FormulaC6H14MgO2
Molecular Weight142.48 g/mol
Exact Mass142.08
IUPAC Namemagnesium;ethanolate;2-methylpropan-1-olate
SMILESCC(C)C[O-].CC[O-].[Mg+2]
InChIInChI=1S/C4H9O.C2H5O.Mg/c1-4(2)3-5;1-2-3;/h4H,3H2,1-2H3;2H2,1H3;/q2*-1;+2
InChIKeyZWPMNIKELFUJFK-UHFFFAOYSA-N
XLogP-1.01
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.48
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Magnesium dipropanolate
CID 10197751
2-Methylpropyl hydroperoxide
CID 13651101
2-Methylpropan-1-olate
CID 3594982
CID 5489517
CID 5489517
Magnesium propylate
CID 11228859
Magnesium;2-methylpropan-1-olate;bromide
CID 135077954
Magnesium 2-methylpropanolate
CID 9812874
Magnesium;2-methylpropan-1-olate;chloride
CID 14418996
Ethoxypropoxymagnesium
CID 22239874
Magnesium ethoxide propan-1-olate (1/1/1)
CID 24942495
Chloro(2-methylpropan-1-olato)magnesium
CID 90659603
1,3-Dimethoxy-2-methylpropane
CID 21024274

Frequently Asked Questions

What is the IUPAC name of magnesium;ethanolate;2-methylpropan-1-olate?
The IUPAC name of magnesium;ethanolate;2-methylpropan-1-olate (CID 18702161) is magnesium;ethanolate;2-methylpropan-1-olate.
What is the SMILES notation for magnesium;ethanolate;2-methylpropan-1-olate?
The canonical SMILES for magnesium;ethanolate;2-methylpropan-1-olate is CC(C)C[O-].CC[O-].[Mg+2].
What is the InChIKey of magnesium;ethanolate;2-methylpropan-1-olate?
The InChIKey is ZWPMNIKELFUJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.C2H5O.Mg/c1-4(2)3-5;1-2-3;/h4H,3H2,1-2H3;2H2,1H3;/q2*-1;+2.
What are the key properties of magnesium;ethanolate;2-methylpropan-1-olate?
magnesium;ethanolate;2-methylpropan-1-olate has a molecular weight of 142.48 g/mol, XLogP of -1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethanolate;2-methylpropan-1-olate is sourced from PubChem (CID 18702161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).