magnesium;2,2-dimethylpropane;ethanolate

C9H22MgO2 — CID 174810473

IUPACmagnesium;2,2-dimethylpropane;ethanolate
SMILESCC(C)(C)C.CC[O-].CC[O-].[Mg+2]
InChIInChI=1S/C5H12.2C2H5O.Mg/c1-5(2,3)4;2*1-2-3;/h1-4H3;2*2H2,1H3;/q;2*-1;+2
InChIKeyNKMXAQSAKNRDEY-UHFFFAOYSA-N
MW186.58 g/mol
LogP0.40
Rot. Bonds

About magnesium;2,2-dimethylpropane;ethanolate

magnesium;2,2-dimethylpropane;ethanolate (PubChem CID 174810473) has the molecular formula C9H22MgO2 and a molecular weight of 186.58 g/mol. Its IUPAC name is magnesium;2,2-dimethylpropane;ethanolate.

Molecular Properties

Compound Namemagnesium;2,2-dimethylpropane;ethanolate
PubChem CID174810473
Molecular FormulaC9H22MgO2
Molecular Weight186.58 g/mol
Exact Mass186.15
IUPAC Namemagnesium;2,2-dimethylpropane;ethanolate
SMILESCC(C)(C)C.CC[O-].CC[O-].[Mg+2]
InChIInChI=1S/C5H12.2C2H5O.Mg/c1-5(2,3)4;2*1-2-3;/h1-4H3;2*2H2,1H3;/q;2*-1;+2
InChIKeyNKMXAQSAKNRDEY-UHFFFAOYSA-N
XLogP0.40
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.58
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-dimethylpropane;ethanolate?
The IUPAC name of magnesium;2,2-dimethylpropane;ethanolate (CID 174810473) is magnesium;2,2-dimethylpropane;ethanolate.
What is the SMILES notation for magnesium;2,2-dimethylpropane;ethanolate?
The canonical SMILES for magnesium;2,2-dimethylpropane;ethanolate is CC(C)(C)C.CC[O-].CC[O-].[Mg+2].
What is the InChIKey of magnesium;2,2-dimethylpropane;ethanolate?
The InChIKey is NKMXAQSAKNRDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.2C2H5O.Mg/c1-5(2,3)4;2*1-2-3;/h1-4H3;2*2H2,1H3;/q;2*-1;+2.
What are the key properties of magnesium;2,2-dimethylpropane;ethanolate?
magnesium;2,2-dimethylpropane;ethanolate has a molecular weight of 186.58 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-dimethylpropane;ethanolate is sourced from PubChem (CID 174810473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).