magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide

C24H27BrMgO7Si — CID 153323745

IUPACmagnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide
SMILESCOc1ccc([Si]([O-])(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC.[Br-].[Mg+2]
InChIInChI=1S/C24H27O7Si.BrH.Mg/c1-26-19-10-7-16(13-22(19)29-4)32(25,17-8-11-20(27-2)23(14-17)30-5)18-9-12-21(28-3)24(15-18)31-6;;/h7-15H,1-6H3;1H;/q-1;;+2/p-1
InChIKeyVDEFHLFCDHISAC-UHFFFAOYSA-M
MW559.77 g/mol
LogP-2.31
Rot. Bonds9

About magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide

magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide (PubChem CID 153323745) has the molecular formula C24H27BrMgO7Si and a molecular weight of 559.77 g/mol. Its IUPAC name is magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide.

Molecular Properties

Compound Namemagnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide
PubChem CID153323745
Molecular FormulaC24H27BrMgO7Si
Molecular Weight559.77 g/mol
Exact Mass558.06
IUPAC Namemagnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide
SMILESCOc1ccc([Si]([O-])(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC.[Br-].[Mg+2]
InChIInChI=1S/C24H27O7Si.BrH.Mg/c1-26-19-10-7-16(13-22(19)29-4)32(25,17-8-11-20(27-2)23(14-17)30-5)18-9-12-21(28-3)24(15-18)31-6;;/h7-15H,1-6H3;1H;/q-1;;+2/p-1
InChIKeyVDEFHLFCDHISAC-UHFFFAOYSA-M
XLogP-2.31
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.77
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide?
The IUPAC name of magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide (CID 153323745) is magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide.
What is the SMILES notation for magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide?
The canonical SMILES for magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide is COc1ccc([Si]([O-])(c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC.[Br-].[Mg+2].
What is the InChIKey of magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide?
The InChIKey is VDEFHLFCDHISAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H27O7Si.BrH.Mg/c1-26-19-10-7-16(13-22(19)29-4)32(25,17-8-11-20(27-2)23(14-17)30-5)18-9-12-21(28-3)24(15-18)31-6;;/h7-15H,1-6H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide?
magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide has a molecular weight of 559.77 g/mol, XLogP of -2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tris(3,4-dimethoxyphenyl)-oxidosilane;bromide is sourced from PubChem (CID 153323745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).