magnesium;pentane;bromide;hydrobromide

C5H12Br2Mg — CID 87532857

IUPACmagnesium;pentane;bromide;hydrobromide
SMILESBr.[Br-].[CH2-]CCCC.[Mg+2]
InChIInChI=1S/C5H11.2BrH.Mg/c1-3-5-4-2;;;/h1,3-5H2,2H3;2*1H;/q-1;;;+2/p-1
InChIKeyWMJGEMHMIIERNG-UHFFFAOYSA-M
MW256.26 g/mol
LogP-0.79
Rot. Bonds2

About magnesium;pentane;bromide;hydrobromide

magnesium;pentane;bromide;hydrobromide (PubChem CID 87532857) has the molecular formula C5H12Br2Mg and a molecular weight of 256.26 g/mol. Its IUPAC name is magnesium;pentane;bromide;hydrobromide.

Molecular Properties

Compound Namemagnesium;pentane;bromide;hydrobromide
PubChem CID87532857
Molecular FormulaC5H12Br2Mg
Molecular Weight256.26 g/mol
Exact Mass253.92
IUPAC Namemagnesium;pentane;bromide;hydrobromide
SMILESBr.[Br-].[CH2-]CCCC.[Mg+2]
InChIInChI=1S/C5H11.2BrH.Mg/c1-3-5-4-2;;;/h1,3-5H2,2H3;2*1H;/q-1;;;+2/p-1
InChIKeyWMJGEMHMIIERNG-UHFFFAOYSA-M
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;pentane;bromide;hydrobromide?
The IUPAC name of magnesium;pentane;bromide;hydrobromide (CID 87532857) is magnesium;pentane;bromide;hydrobromide.
What is the SMILES notation for magnesium;pentane;bromide;hydrobromide?
The canonical SMILES for magnesium;pentane;bromide;hydrobromide is Br.[Br-].[CH2-]CCCC.[Mg+2].
What is the InChIKey of magnesium;pentane;bromide;hydrobromide?
The InChIKey is WMJGEMHMIIERNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11.2BrH.Mg/c1-3-5-4-2;;;/h1,3-5H2,2H3;2*1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;pentane;bromide;hydrobromide?
magnesium;pentane;bromide;hydrobromide has a molecular weight of 256.26 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;pentane;bromide;hydrobromide is sourced from PubChem (CID 87532857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).