magnesium;4-methanidyloxane;bromide

C6H11BrMgO — CID 87850034

IUPACmagnesium;4-methanidyloxane;bromide
SMILES[Br-].[CH2-]C1CCOCC1.[Mg+2]
InChIInChI=1S/C6H11O.BrH.Mg/c1-6-2-4-7-5-3-6;;/h6H,1-5H2;1H;/q-1;;+2/p-1
InChIKeySVFYQDXWPXKJGU-UHFFFAOYSA-M
MW203.36 g/mol
LogP-2.13
Rot. Bonds

About magnesium;4-methanidyloxane;bromide

magnesium;4-methanidyloxane;bromide (PubChem CID 87850034) has the molecular formula C6H11BrMgO and a molecular weight of 203.36 g/mol. Its IUPAC name is magnesium;4-methanidyloxane;bromide.

Molecular Properties

Compound Namemagnesium;4-methanidyloxane;bromide
PubChem CID87850034
Molecular FormulaC6H11BrMgO
Molecular Weight203.36 g/mol
Exact Mass201.98
IUPAC Namemagnesium;4-methanidyloxane;bromide
SMILES[Br-].[CH2-]C1CCOCC1.[Mg+2]
InChIInChI=1S/C6H11O.BrH.Mg/c1-6-2-4-7-5-3-6;;/h6H,1-5H2;1H;/q-1;;+2/p-1
InChIKeySVFYQDXWPXKJGU-UHFFFAOYSA-M
XLogP-2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 5-2.13
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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Related Compounds

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4-methyloxane
CID 91181599
1,4-dimethanidylcyclohexane;tungsten;vanadium
CID 172528900
2,3,3a,4,5,7,8,8a-octahydrofuro[2,3-d]oxepine
CID 118209812
oxan-4-amine;pentakis(yttrium)
CID 158916020
magnesium;ethane;hydron;oxolane;bromide
CID 174967125
methanamine;4-methyloxane
CID 139388754
carbanide;1-fluoro-4-methanidylcyclohexane;yttrium
CID 59783870
cyclohexane;4-methyloxane
CID 144563977
1,4-dioxane
CID 161483686
methanidylcyclohexane;zinc
CID 140561635
trimethyl-[2-(oxan-4-yl)ethyl]silane
CID 164606403

Frequently Asked Questions

What is the IUPAC name of magnesium;4-methanidyloxane;bromide?
The IUPAC name of magnesium;4-methanidyloxane;bromide (CID 87850034) is magnesium;4-methanidyloxane;bromide.
What is the SMILES notation for magnesium;4-methanidyloxane;bromide?
The canonical SMILES for magnesium;4-methanidyloxane;bromide is [Br-].[CH2-]C1CCOCC1.[Mg+2].
What is the InChIKey of magnesium;4-methanidyloxane;bromide?
The InChIKey is SVFYQDXWPXKJGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11O.BrH.Mg/c1-6-2-4-7-5-3-6;;/h6H,1-5H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-methanidyloxane;bromide?
magnesium;4-methanidyloxane;bromide has a molecular weight of 203.36 g/mol, XLogP of -2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-methanidyloxane;bromide is sourced from PubChem (CID 87850034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).