magnesium;methylbenzene;oxolane;bromide

C11H15BrMgO — CID 131731152

IUPACmagnesium;methylbenzene;oxolane;bromide
SMILESC1CCOC1.Cc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7.C4H8O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h3-6H,1H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyGJSJFRZXZSYYRQ-UHFFFAOYSA-M
MW267.45 g/mol
LogP-0.78
Rot. Bonds

About magnesium;methylbenzene;oxolane;bromide

magnesium;methylbenzene;oxolane;bromide (PubChem CID 131731152) has the molecular formula C11H15BrMgO and a molecular weight of 267.45 g/mol. Its IUPAC name is magnesium;methylbenzene;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;methylbenzene;oxolane;bromide
PubChem CID131731152
Molecular FormulaC11H15BrMgO
Molecular Weight267.45 g/mol
Exact Mass266.02
IUPAC Namemagnesium;methylbenzene;oxolane;bromide
SMILESC1CCOC1.Cc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C7H7.C4H8O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h3-6H,1H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyGJSJFRZXZSYYRQ-UHFFFAOYSA-M
XLogP-0.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.45
LogP ≤ 5-0.78
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;methylbenzene;oxolane;bromide?
The IUPAC name of magnesium;methylbenzene;oxolane;bromide (CID 131731152) is magnesium;methylbenzene;oxolane;bromide.
What is the SMILES notation for magnesium;methylbenzene;oxolane;bromide?
The canonical SMILES for magnesium;methylbenzene;oxolane;bromide is C1CCOC1.Cc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;methylbenzene;oxolane;bromide?
The InChIKey is GJSJFRZXZSYYRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C4H8O.BrH.Mg/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;;/h3-6H,1H3;1-4H2;1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;methylbenzene;oxolane;bromide?
magnesium;methylbenzene;oxolane;bromide has a molecular weight of 267.45 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methylbenzene;oxolane;bromide is sourced from PubChem (CID 131731152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).