magnesium;butane;ethanol

C10H24MgO — CID 158014640

IUPACmagnesium;butane;ethanol
SMILESCCO.[CH2-]CCC.[CH2-]CCC.[Mg+2]
InChIInChI=1S/2C4H9.C2H6O.Mg/c2*1-3-4-2;1-2-3;/h2*1,3-4H2,2H3;3H,2H2,1H3;/q2*-1;;+2
InChIKeyFHFYGZIWIDLFNO-UHFFFAOYSA-N
MW184.61 g/mol
LogP2.86
Rot. Bonds2

About magnesium;butane;ethanol

magnesium;butane;ethanol (PubChem CID 158014640) has the molecular formula C10H24MgO and a molecular weight of 184.61 g/mol. Its IUPAC name is magnesium;butane;ethanol.

Molecular Properties

Compound Namemagnesium;butane;ethanol
PubChem CID158014640
Molecular FormulaC10H24MgO
Molecular Weight184.61 g/mol
Exact Mass184.17
IUPAC Namemagnesium;butane;ethanol
SMILESCCO.[CH2-]CCC.[CH2-]CCC.[Mg+2]
InChIInChI=1S/2C4H9.C2H6O.Mg/c2*1-3-4-2;1-2-3;/h2*1,3-4H2,2H3;3H,2H2,1H3;/q2*-1;;+2
InChIKeyFHFYGZIWIDLFNO-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 57419181
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CID 85439871
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CID 21057379
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CID 87374724
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Frequently Asked Questions

What is the IUPAC name of magnesium;butane;ethanol?
The IUPAC name of magnesium;butane;ethanol (CID 158014640) is magnesium;butane;ethanol.
What is the SMILES notation for magnesium;butane;ethanol?
The canonical SMILES for magnesium;butane;ethanol is CCO.[CH2-]CCC.[CH2-]CCC.[Mg+2].
What is the InChIKey of magnesium;butane;ethanol?
The InChIKey is FHFYGZIWIDLFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C2H6O.Mg/c2*1-3-4-2;1-2-3;/h2*1,3-4H2,2H3;3H,2H2,1H3;/q2*-1;;+2.
What are the key properties of magnesium;butane;ethanol?
magnesium;butane;ethanol has a molecular weight of 184.61 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butane;ethanol is sourced from PubChem (CID 158014640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).