magnesium;bromobenzene;ethoxyethane;hydride

C10H17BrMgO — CID 173158807

IUPACmagnesium;bromobenzene;ethoxyethane;hydride
SMILESBrc1ccccc1.CCOCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H5Br.C4H10O.Mg.2H/c7-6-4-2-1-3-5-6;1-3-5-4-2;;;/h1-5H;3-4H2,1-2H3;;;/q;;+2;2*-1
InChIKeyOTXWQZKWEWULLW-UHFFFAOYSA-N
MW257.45 g/mol
LogP3.34
Rot. Bonds2

About magnesium;bromobenzene;ethoxyethane;hydride

magnesium;bromobenzene;ethoxyethane;hydride (PubChem CID 173158807) has the molecular formula C10H17BrMgO and a molecular weight of 257.45 g/mol. Its IUPAC name is magnesium;bromobenzene;ethoxyethane;hydride.

Molecular Properties

Compound Namemagnesium;bromobenzene;ethoxyethane;hydride
PubChem CID173158807
Molecular FormulaC10H17BrMgO
Molecular Weight257.45 g/mol
Exact Mass256.03
IUPAC Namemagnesium;bromobenzene;ethoxyethane;hydride
SMILESBrc1ccccc1.CCOCC.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H5Br.C4H10O.Mg.2H/c7-6-4-2-1-3-5-6;1-3-5-4-2;;;/h1-5H;3-4H2,1-2H3;;;/q;;+2;2*-1
InChIKeyOTXWQZKWEWULLW-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bromobenzene;ethanol
CID 134249194
cesium;bromobenzene;hydride
CID 174679233
bromo(413C)cyclohexatriene
CID 66995401
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
(213C)ethoxymethylbenzene
CID 87947851
benzylbenzene;ethoxyethane
CID 69148831
CID 159525408
CID 159525408
bromobenzene;hydroiodide
CID 161399395
bromobenzene;trihydrofluoride
CID 173004651
bromobenzene;hydrofluoride
CID 158803829
ethoxybenzene;ethoxyethane
CID 67764259
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504

Frequently Asked Questions

What is the IUPAC name of magnesium;bromobenzene;ethoxyethane;hydride?
The IUPAC name of magnesium;bromobenzene;ethoxyethane;hydride (CID 173158807) is magnesium;bromobenzene;ethoxyethane;hydride.
What is the SMILES notation for magnesium;bromobenzene;ethoxyethane;hydride?
The canonical SMILES for magnesium;bromobenzene;ethoxyethane;hydride is Brc1ccccc1.CCOCC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;bromobenzene;ethoxyethane;hydride?
The InChIKey is OTXWQZKWEWULLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C4H10O.Mg.2H/c7-6-4-2-1-3-5-6;1-3-5-4-2;;;/h1-5H;3-4H2,1-2H3;;;/q;;+2;2*-1.
What are the key properties of magnesium;bromobenzene;ethoxyethane;hydride?
magnesium;bromobenzene;ethoxyethane;hydride has a molecular weight of 257.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bromobenzene;ethoxyethane;hydride is sourced from PubChem (CID 173158807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).