magnesium;1-methoxy-2,2-dimethylpropane;dichloride

C6H14Cl2MgO — CID 175512317

IUPACmagnesium;1-methoxy-2,2-dimethylpropane;dichloride
SMILESCOCC(C)(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O.2ClH.Mg/c1-6(2,3)5-7-4;;;/h5H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyGTSBIXWKSNPMPH-UHFFFAOYSA-L
MW197.39 g/mol
LogP-4.69
Rot. Bonds1

About magnesium;1-methoxy-2,2-dimethylpropane;dichloride

magnesium;1-methoxy-2,2-dimethylpropane;dichloride (PubChem CID 175512317) has the molecular formula C6H14Cl2MgO and a molecular weight of 197.39 g/mol. Its IUPAC name is magnesium;1-methoxy-2,2-dimethylpropane;dichloride.

Molecular Properties

Compound Namemagnesium;1-methoxy-2,2-dimethylpropane;dichloride
PubChem CID175512317
Molecular FormulaC6H14Cl2MgO
Molecular Weight197.39 g/mol
Exact Mass196.03
IUPAC Namemagnesium;1-methoxy-2,2-dimethylpropane;dichloride
SMILESCOCC(C)(C)C.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H14O.2ClH.Mg/c1-6(2,3)5-7-4;;;/h5H2,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyGTSBIXWKSNPMPH-UHFFFAOYSA-L
XLogP-4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.39
LogP ≤ 5-4.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-methoxy-2,2-dimethylpropane;dichloride?
The IUPAC name of magnesium;1-methoxy-2,2-dimethylpropane;dichloride (CID 175512317) is magnesium;1-methoxy-2,2-dimethylpropane;dichloride.
What is the SMILES notation for magnesium;1-methoxy-2,2-dimethylpropane;dichloride?
The canonical SMILES for magnesium;1-methoxy-2,2-dimethylpropane;dichloride is COCC(C)(C)C.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-methoxy-2,2-dimethylpropane;dichloride?
The InChIKey is GTSBIXWKSNPMPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14O.2ClH.Mg/c1-6(2,3)5-7-4;;;/h5H2,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;1-methoxy-2,2-dimethylpropane;dichloride?
magnesium;1-methoxy-2,2-dimethylpropane;dichloride has a molecular weight of 197.39 g/mol, XLogP of -4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-methoxy-2,2-dimethylpropane;dichloride is sourced from PubChem (CID 175512317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).