magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide

C11H15BrMgO — CID 51346710

IUPACmagnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide
SMILES[Br-].[CH2-]Cc1cc(C)c(OC)c(C)c1.[Mg+2]
InChIInChI=1S/C11H15O.BrH.Mg/c1-5-10-6-8(2)11(12-4)9(3)7-10;;/h6-7H,1,5H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyJHTOMCJCAPPYIH-UHFFFAOYSA-M
MW267.45 g/mol
LogP-0.69
Rot. Bonds2

About magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide

magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide (PubChem CID 51346710) has the molecular formula C11H15BrMgO and a molecular weight of 267.45 g/mol. Its IUPAC name is magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide
PubChem CID51346710
Molecular FormulaC11H15BrMgO
Molecular Weight267.45 g/mol
Exact Mass266.02
IUPAC Namemagnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide
SMILES[Br-].[CH2-]Cc1cc(C)c(OC)c(C)c1.[Mg+2]
InChIInChI=1S/C11H15O.BrH.Mg/c1-5-10-6-8(2)11(12-4)9(3)7-10;;/h6-7H,1,5H2,2-4H3;1H;/q-1;;+2/p-1
InChIKeyJHTOMCJCAPPYIH-UHFFFAOYSA-M
XLogP-0.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 5-0.69
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;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide?
The IUPAC name of magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide (CID 51346710) is magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide.
What is the SMILES notation for magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide?
The canonical SMILES for magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide is [Br-].[CH2-]Cc1cc(C)c(OC)c(C)c1.[Mg+2].
What is the InChIKey of magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide?
The InChIKey is JHTOMCJCAPPYIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O.BrH.Mg/c1-5-10-6-8(2)11(12-4)9(3)7-10;;/h6-7H,1,5H2,2-4H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide?
magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide has a molecular weight of 267.45 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-ethyl-2-methoxy-1,3-dimethylbenzene;bromide is sourced from PubChem (CID 51346710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).