magnesium;2-phenyl-1,3-dioxolane;bromide

C9H9BrMgO2 — CID 12585013

IUPACmagnesium;2-phenyl-1,3-dioxolane;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(C2OCCO2)cc1
InChIInChI=1S/C9H9O2.BrH.Mg/c1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2-5,9H,6-7H2;1H;/q-1;;+2/p-1
InChIKeyIUEFMQLXLPJDGN-UHFFFAOYSA-M
MW253.38 g/mol
LogP-1.84
Rot. Bonds1

About magnesium;2-phenyl-1,3-dioxolane;bromide

magnesium;2-phenyl-1,3-dioxolane;bromide (PubChem CID 12585013) has the molecular formula C9H9BrMgO2 and a molecular weight of 253.38 g/mol. Its IUPAC name is magnesium;2-phenyl-1,3-dioxolane;bromide.

Molecular Properties

Compound Namemagnesium;2-phenyl-1,3-dioxolane;bromide
PubChem CID12585013
Molecular FormulaC9H9BrMgO2
Molecular Weight253.38 g/mol
Exact Mass251.96
IUPAC Namemagnesium;2-phenyl-1,3-dioxolane;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(C2OCCO2)cc1
InChIInChI=1S/C9H9O2.BrH.Mg/c1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2-5,9H,6-7H2;1H;/q-1;;+2/p-1
InChIKeyIUEFMQLXLPJDGN-UHFFFAOYSA-M
XLogP-1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Benzaldehyde diethylacetal)magnesium bromide
CID 12882175
8-Methylene-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 23437389
4-(Dimethoxymethyl)phenylmagnesium bromide
CID 11265320
Magnesium bromide 4-(1,3-dioxan-2-yl)benzen-1-ide (1/1/1)
CID 12725108
2-(2-Lithiophenyl)-1,3-dioxolane
CID 19784314
Magnesium bromide 2-(1,3-dioxan-2-yl)benzen-1-ide (1/1/1)
CID 24722693
3-(Diethoxymethyl)phenylmagnesium bromide, 1.0 M in THF
CID 71310873
2-(4-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane
CID 146429651
(3-(2-methyl-1,3-dioxolan-2-yl)phenyl)magnesium bromide, 0.50 M in THF
CID 13634766
Lithium 2-methyl-2-phenyl-1,3-dioxolane
CID 15629141
2-(Diethoxymethyl)phenylmagnesium bromide
CID 71310959
2-[(E)-3-(4-methylpent-3-enoxy)prop-1-enyl]-1,3-dioxolane
CID 101541350

Frequently Asked Questions

What is the IUPAC name of magnesium;2-phenyl-1,3-dioxolane;bromide?
The IUPAC name of magnesium;2-phenyl-1,3-dioxolane;bromide (CID 12585013) is magnesium;2-phenyl-1,3-dioxolane;bromide.
What is the SMILES notation for magnesium;2-phenyl-1,3-dioxolane;bromide?
The canonical SMILES for magnesium;2-phenyl-1,3-dioxolane;bromide is [Br-].[Mg+2].[c-]1ccc(C2OCCO2)cc1.
What is the InChIKey of magnesium;2-phenyl-1,3-dioxolane;bromide?
The InChIKey is IUEFMQLXLPJDGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9O2.BrH.Mg/c1-2-4-8(5-3-1)9-10-6-7-11-9;;/h2-5,9H,6-7H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-phenyl-1,3-dioxolane;bromide?
magnesium;2-phenyl-1,3-dioxolane;bromide has a molecular weight of 253.38 g/mol, XLogP of -1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-phenyl-1,3-dioxolane;bromide is sourced from PubChem (CID 12585013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).