magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide

C11H15BrMg — CID 11196065

IUPACmagnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide
SMILESCc1[c-]c(C)c(C)c(C)c1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15.BrH.Mg/c1-7-6-8(2)10(4)11(5)9(7)3;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyXYFPEXRRQAUBAC-UHFFFAOYSA-M
MW251.45 g/mol
LogP-0.35
Rot. Bonds

About magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide

magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide (PubChem CID 11196065) has the molecular formula C11H15BrMg and a molecular weight of 251.45 g/mol. Its IUPAC name is magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide
PubChem CID11196065
Molecular FormulaC11H15BrMg
Molecular Weight251.45 g/mol
Exact Mass250.02
IUPAC Namemagnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide
SMILESCc1[c-]c(C)c(C)c(C)c1C.[Br-].[Mg+2]
InChIInChI=1S/C11H15.BrH.Mg/c1-7-6-8(2)10(4)11(5)9(7)3;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyXYFPEXRRQAUBAC-UHFFFAOYSA-M
XLogP-0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 5-0.35
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;1,2,3,4,5-pentamethylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide (CID 11196065) is magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide is Cc1[c-]c(C)c(C)c(C)c1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide?
The InChIKey is XYFPEXRRQAUBAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15.BrH.Mg/c1-7-6-8(2)10(4)11(5)9(7)3;;/h1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide?
magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide has a molecular weight of 251.45 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2,3,4,5-pentamethylbenzene-6-ide;bromide is sourced from PubChem (CID 11196065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).