magnesium;bromomethylcyclopentane;hydride

C6H13BrMg — CID 173045510

IUPACmagnesium;bromomethylcyclopentane;hydride
SMILESBrCC1CCCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H11Br.Mg.2H/c7-5-6-3-1-2-4-6;;;/h6H,1-5H2;;;/q;+2;2*-1
InChIKeyNULLVGMKFNSJFA-UHFFFAOYSA-N
MW189.38 g/mol
LogP2.42
Rot. Bonds1

About magnesium;bromomethylcyclopentane;hydride

magnesium;bromomethylcyclopentane;hydride (PubChem CID 173045510) has the molecular formula C6H13BrMg and a molecular weight of 189.38 g/mol. Its IUPAC name is magnesium;bromomethylcyclopentane;hydride.

Molecular Properties

Compound Namemagnesium;bromomethylcyclopentane;hydride
PubChem CID173045510
Molecular FormulaC6H13BrMg
Molecular Weight189.38 g/mol
Exact Mass188.01
IUPAC Namemagnesium;bromomethylcyclopentane;hydride
SMILESBrCC1CCCC1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H11Br.Mg.2H/c7-5-6-3-1-2-4-6;;;/h6H,1-5H2;;;/q;+2;2*-1
InChIKeyNULLVGMKFNSJFA-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;bromomethylcyclopentane;hydride?
The IUPAC name of magnesium;bromomethylcyclopentane;hydride (CID 173045510) is magnesium;bromomethylcyclopentane;hydride.
What is the SMILES notation for magnesium;bromomethylcyclopentane;hydride?
The canonical SMILES for magnesium;bromomethylcyclopentane;hydride is BrCC1CCCC1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;bromomethylcyclopentane;hydride?
The InChIKey is NULLVGMKFNSJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br.Mg.2H/c7-5-6-3-1-2-4-6;;;/h6H,1-5H2;;;/q;+2;2*-1.
What are the key properties of magnesium;bromomethylcyclopentane;hydride?
magnesium;bromomethylcyclopentane;hydride has a molecular weight of 189.38 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bromomethylcyclopentane;hydride is sourced from PubChem (CID 173045510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).