magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide

C12H17BrMgO — CID 175516832

IUPACmagnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide
SMILESC1CCOC1.Cc1[c-]cccc1C.[Br-].[Mg+2]
InChIInChI=1S/C8H9.C4H8O.BrH.Mg/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;/h3-5H,1-2H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyGYWIOAXFGCKILE-UHFFFAOYSA-M
MW281.48 g/mol
LogP-0.48
Rot. Bonds

About magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide

magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide (PubChem CID 175516832) has the molecular formula C12H17BrMgO and a molecular weight of 281.48 g/mol. Its IUPAC name is magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide
PubChem CID175516832
Molecular FormulaC12H17BrMgO
Molecular Weight281.48 g/mol
Exact Mass280.03
IUPAC Namemagnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide
SMILESC1CCOC1.Cc1[c-]cccc1C.[Br-].[Mg+2]
InChIInChI=1S/C8H9.C4H8O.BrH.Mg/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;/h3-5H,1-2H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyGYWIOAXFGCKILE-UHFFFAOYSA-M
XLogP-0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 5-0.48
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;1,2-dimethylbenzene-6-ide;oxolane;bromide?
The IUPAC name of magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide (CID 175516832) is magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide.
What is the SMILES notation for magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide?
The canonical SMILES for magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide is C1CCOC1.Cc1[c-]cccc1C.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide?
The InChIKey is GYWIOAXFGCKILE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.C4H8O.BrH.Mg/c1-7-5-3-4-6-8(7)2;1-2-4-5-3-1;;/h3-5H,1-2H3;1-4H2;1H;/q-1;;;+2/p-1.
What are the key properties of magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide?
magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide has a molecular weight of 281.48 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,2-dimethylbenzene-6-ide;oxolane;bromide is sourced from PubChem (CID 175516832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).