magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide

C11H13BrMgO — CID 91656400

IUPACmagnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide
SMILESC=CCOc1cc(C)[c-]c(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C11H13O.BrH.Mg/c1-4-5-12-11-7-9(2)6-10(3)8-11;;/h4,7-8H,1,5H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyGBXAOBXSVSXHOQ-UHFFFAOYSA-M
MW265.43 g/mol
LogP-0.71
Rot. Bonds3

About magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide

magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide (PubChem CID 91656400) has the molecular formula C11H13BrMgO and a molecular weight of 265.43 g/mol. Its IUPAC name is magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide
PubChem CID91656400
Molecular FormulaC11H13BrMgO
Molecular Weight265.43 g/mol
Exact Mass264.00
IUPAC Namemagnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide
SMILESC=CCOc1cc(C)[c-]c(C)c1.[Br-].[Mg+2]
InChIInChI=1S/C11H13O.BrH.Mg/c1-4-5-12-11-7-9(2)6-10(3)8-11;;/h4,7-8H,1,5H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyGBXAOBXSVSXHOQ-UHFFFAOYSA-M
XLogP-0.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide?
The IUPAC name of magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide (CID 91656400) is magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide.
What is the SMILES notation for magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide?
The canonical SMILES for magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide is C=CCOc1cc(C)[c-]c(C)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide?
The InChIKey is GBXAOBXSVSXHOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13O.BrH.Mg/c1-4-5-12-11-7-9(2)6-10(3)8-11;;/h4,7-8H,1,5H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide?
magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide has a molecular weight of 265.43 g/mol, XLogP of -0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-dimethyl-5-prop-2-enoxybenzene-2-ide;bromide is sourced from PubChem (CID 91656400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).