magnesium;1,3,5-trimethylbenzene-6-ide;bromide

C9H11BrMg — CID 5098599

IUPACmagnesium;1,3,5-trimethylbenzene-6-ide;bromide
SMILESCc1[c-]c(C)cc(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H11.BrH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyJOWQNXIISCPKBK-UHFFFAOYSA-M
MW223.40 g/mol
LogP-0.96
Rot. Bonds

About magnesium;1,3,5-trimethylbenzene-6-ide;bromide

magnesium;1,3,5-trimethylbenzene-6-ide;bromide (PubChem CID 5098599) has the molecular formula C9H11BrMg and a molecular weight of 223.40 g/mol. Its IUPAC name is magnesium;1,3,5-trimethylbenzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,3,5-trimethylbenzene-6-ide;bromide
PubChem CID5098599
Molecular FormulaC9H11BrMg
Molecular Weight223.40 g/mol
Exact Mass221.99
IUPAC Namemagnesium;1,3,5-trimethylbenzene-6-ide;bromide
SMILESCc1[c-]c(C)cc(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H11.BrH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyJOWQNXIISCPKBK-UHFFFAOYSA-M
XLogP-0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 5-0.96
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;1,3,5-trimethylbenzene-6-ide;bromide?
The IUPAC name of magnesium;1,3,5-trimethylbenzene-6-ide;bromide (CID 5098599) is magnesium;1,3,5-trimethylbenzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,3,5-trimethylbenzene-6-ide;bromide?
The canonical SMILES for magnesium;1,3,5-trimethylbenzene-6-ide;bromide is Cc1[c-]c(C)cc(C)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3,5-trimethylbenzene-6-ide;bromide?
The InChIKey is JOWQNXIISCPKBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11.BrH.Mg/c1-7-4-8(2)6-9(3)5-7;;/h4-5H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3,5-trimethylbenzene-6-ide;bromide?
magnesium;1,3,5-trimethylbenzene-6-ide;bromide has a molecular weight of 223.40 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3,5-trimethylbenzene-6-ide;bromide is sourced from PubChem (CID 5098599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).