dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide

C25H26Br2Mg2 — CID 160591492

IUPACdimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide
SMILESC=Cc1cc[c-]cc1.C=Cc1ccc(Br)cc1.C=Cc1ccc(C)cc1.[Br-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C9H10.C8H7Br.C8H7.BrH.2Mg.2H/c1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;;;;;/h3-7H,1H2,2H3;2-6H,1H2;2,4-7H,1H2;1H;;;;/q;;-1;;2*+2;2*-1/p-1
InChIKeyNMTUAVOPTLQIQQ-UHFFFAOYSA-M
MW534.90 g/mol
LogP4.33
Rot. Bonds3

About dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide

dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide (PubChem CID 160591492) has the molecular formula C25H26Br2Mg2 and a molecular weight of 534.90 g/mol. Its IUPAC name is dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide.

Molecular Properties

Compound Namedimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide
PubChem CID160591492
Molecular FormulaC25H26Br2Mg2
Molecular Weight534.90 g/mol
Exact Mass532.01
IUPAC Namedimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide
SMILESC=Cc1cc[c-]cc1.C=Cc1ccc(Br)cc1.C=Cc1ccc(C)cc1.[Br-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C9H10.C8H7Br.C8H7.BrH.2Mg.2H/c1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;;;;;/h3-7H,1H2,2H3;2-6H,1H2;2,4-7H,1H2;1H;;;;/q;;-1;;2*+2;2*-1/p-1
InChIKeyNMTUAVOPTLQIQQ-UHFFFAOYSA-M
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.90
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Bromobiphenyl
CID 7101
4,4'-Dibromobiphenyl
CID 7110
1-Bromo-4-ethylbenzene
CID 15313
1-Bromo-4-propylbenzene
CID 136374
1-Benzyl-4-bromobenzene
CID 236000
1-Bromo-4-butylbenzene
CID 521059
4-Bromo-4'-methylbiphenyl
CID 521291
4-Bromo-p-terphenyl
CID 11012297
4,4''-Dibromo-p-terphenyl
CID 12455998
4,4'-Dibromodiphenylmethane
CID 96487
4-Bromo-4'-pentylbiphenyl
CID 618709
1-Bromo-4-(prop-1-en-2-yl)benzene
CID 3614410

Frequently Asked Questions

What is the IUPAC name of dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide?
The IUPAC name of dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide (CID 160591492) is dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide.
What is the SMILES notation for dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide?
The canonical SMILES for dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide is C=Cc1cc[c-]cc1.C=Cc1ccc(Br)cc1.C=Cc1ccc(C)cc1.[Br-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide?
The InChIKey is NMTUAVOPTLQIQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10.C8H7Br.C8H7.BrH.2Mg.2H/c1-3-9-6-4-8(2)5-7-9;1-2-7-3-5-8(9)6-4-7;1-2-8-6-4-3-5-7-8;;;;;/h3-7H,1H2,2H3;2-6H,1H2;2,4-7H,1H2;1H;;;;/q;;-1;;2*+2;2*-1/p-1.
What are the key properties of dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide?
dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide has a molecular weight of 534.90 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;1-bromo-4-ethenylbenzene;ethenylbenzene;1-ethenyl-4-methylbenzene;hydride;bromide is sourced from PubChem (CID 160591492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).