magnesium;methylcyclopentane;bromide

C6H11BrMg — CID 20561687

IUPACmagnesium;methylcyclopentane;bromide
SMILESCC1C[CH-]CC1.[Br-].[Mg+2]
InChIInChI=1S/C6H11.BrH.Mg/c1-6-4-2-3-5-6;;/h2,6H,3-5H2,1H3;1H;/q-1;;+2/p-1
InChIKeyLATBHNUBRKRTDI-UHFFFAOYSA-M
MW187.36 g/mol
LogP-1.37
Rot. Bonds

About magnesium;methylcyclopentane;bromide

magnesium;methylcyclopentane;bromide (PubChem CID 20561687) has the molecular formula C6H11BrMg and a molecular weight of 187.36 g/mol. Its IUPAC name is magnesium;methylcyclopentane;bromide.

Molecular Properties

Compound Namemagnesium;methylcyclopentane;bromide
PubChem CID20561687
Molecular FormulaC6H11BrMg
Molecular Weight187.36 g/mol
Exact Mass185.99
IUPAC Namemagnesium;methylcyclopentane;bromide
SMILESCC1C[CH-]CC1.[Br-].[Mg+2]
InChIInChI=1S/C6H11.BrH.Mg/c1-6-4-2-3-5-6;;/h2,6H,3-5H2,1H3;1H;/q-1;;+2/p-1
InChIKeyLATBHNUBRKRTDI-UHFFFAOYSA-M
XLogP-1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.36
LogP ≤ 5-1.37
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;methylcyclopentane;bromide?
The IUPAC name of magnesium;methylcyclopentane;bromide (CID 20561687) is magnesium;methylcyclopentane;bromide.
What is the SMILES notation for magnesium;methylcyclopentane;bromide?
The canonical SMILES for magnesium;methylcyclopentane;bromide is CC1C[CH-]CC1.[Br-].[Mg+2].
What is the InChIKey of magnesium;methylcyclopentane;bromide?
The InChIKey is LATBHNUBRKRTDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11.BrH.Mg/c1-6-4-2-3-5-6;;/h2,6H,3-5H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;methylcyclopentane;bromide?
magnesium;methylcyclopentane;bromide has a molecular weight of 187.36 g/mol, XLogP of -1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methylcyclopentane;bromide is sourced from PubChem (CID 20561687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).