magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide

C14H15BrMgO — CID 91656581

IUPACmagnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide
SMILESCC(C)COc1ccc2c[c-]ccc2c1.[Br-].[Mg+2]
InChIInChI=1S/C14H15O.BrH.Mg/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14;;/h4-9,11H,10H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBSRORXHLYARAHI-UHFFFAOYSA-M
MW303.48 g/mol
LogP0.30
Rot. Bonds3

About magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide

magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide (PubChem CID 91656581) has the molecular formula C14H15BrMgO and a molecular weight of 303.48 g/mol. Its IUPAC name is magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide
PubChem CID91656581
Molecular FormulaC14H15BrMgO
Molecular Weight303.48 g/mol
Exact Mass302.02
IUPAC Namemagnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide
SMILESCC(C)COc1ccc2c[c-]ccc2c1.[Br-].[Mg+2]
InChIInChI=1S/C14H15O.BrH.Mg/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14;;/h4-9,11H,10H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBSRORXHLYARAHI-UHFFFAOYSA-M
XLogP0.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide?
The IUPAC name of magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide (CID 91656581) is magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide.
What is the SMILES notation for magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide?
The canonical SMILES for magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide is CC(C)COc1ccc2c[c-]ccc2c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide?
The InChIKey is BSRORXHLYARAHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15O.BrH.Mg/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14;;/h4-9,11H,10H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide?
magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide has a molecular weight of 303.48 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-(2-methylpropoxy)-2H-naphthalen-2-ide;bromide is sourced from PubChem (CID 91656581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).