magnesium;2-(phenoxy)oxane;bromide

C11H13BrMgO2 — CID 14519569

IUPACmagnesium;2-(phenoxy)oxane;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H13O2.BrH.Mg/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h2-3,6-7,11H,4-5,8-9H2;1H;/q-1;;+2/p-1
InChIKeyJNWNAQZSBRFGPC-UHFFFAOYSA-M
MW281.43 g/mol
LogP-0.98
Rot. Bonds2

About magnesium;2-(phenoxy)oxane;bromide

magnesium;2-(phenoxy)oxane;bromide (PubChem CID 14519569) has the molecular formula C11H13BrMgO2 and a molecular weight of 281.43 g/mol. Its IUPAC name is magnesium;2-(phenoxy)oxane;bromide.

Molecular Properties

Compound Namemagnesium;2-(phenoxy)oxane;bromide
PubChem CID14519569
Molecular FormulaC11H13BrMgO2
Molecular Weight281.43 g/mol
Exact Mass279.99
IUPAC Namemagnesium;2-(phenoxy)oxane;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C11H13O2.BrH.Mg/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h2-3,6-7,11H,4-5,8-9H2;1H;/q-1;;+2/p-1
InChIKeyJNWNAQZSBRFGPC-UHFFFAOYSA-M
XLogP-0.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 5-0.98
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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Frequently Asked Questions

What is the IUPAC name of magnesium;2-(phenoxy)oxane;bromide?
The IUPAC name of magnesium;2-(phenoxy)oxane;bromide (CID 14519569) is magnesium;2-(phenoxy)oxane;bromide.
What is the SMILES notation for magnesium;2-(phenoxy)oxane;bromide?
The canonical SMILES for magnesium;2-(phenoxy)oxane;bromide is [Br-].[Mg+2].[c-]1ccc(OC2CCCCO2)cc1.
What is the InChIKey of magnesium;2-(phenoxy)oxane;bromide?
The InChIKey is JNWNAQZSBRFGPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13O2.BrH.Mg/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;;/h2-3,6-7,11H,4-5,8-9H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-(phenoxy)oxane;bromide?
magnesium;2-(phenoxy)oxane;bromide has a molecular weight of 281.43 g/mol, XLogP of -0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(phenoxy)oxane;bromide is sourced from PubChem (CID 14519569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).