magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide

C14H23BrMgO — CID 87198252

IUPACmagnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide
SMILESBr.CC(C)(C)Oc1[c-]cccc1.C[C-](C)C.[Mg+2]
InChIInChI=1S/C10H13O.C4H9.BrH.Mg/c1-10(2,3)11-9-7-5-4-6-8-9;1-4(2)3;;/h4-7H,1-3H3;1-3H3;1H;/q2*-1;;+2
InChIKeyBSGZWVOELIPXRO-UHFFFAOYSA-N
MW311.55 g/mol
LogP4.48
Rot. Bonds1

About magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide

magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide (PubChem CID 87198252) has the molecular formula C14H23BrMgO and a molecular weight of 311.55 g/mol. Its IUPAC name is magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide.

Molecular Properties

Compound Namemagnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide
PubChem CID87198252
Molecular FormulaC14H23BrMgO
Molecular Weight311.55 g/mol
Exact Mass310.08
IUPAC Namemagnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide
SMILESBr.CC(C)(C)Oc1[c-]cccc1.C[C-](C)C.[Mg+2]
InChIInChI=1S/C10H13O.C4H9.BrH.Mg/c1-10(2,3)11-9-7-5-4-6-8-9;1-4(2)3;;/h4-7H,1-3H3;1-3H3;1H;/q2*-1;;+2
InChIKeyBSGZWVOELIPXRO-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.55
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide?
The IUPAC name of magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide (CID 87198252) is magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide.
What is the SMILES notation for magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide?
The canonical SMILES for magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide is Br.CC(C)(C)Oc1[c-]cccc1.C[C-](C)C.[Mg+2].
What is the InChIKey of magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide?
The InChIKey is BSGZWVOELIPXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O.C4H9.BrH.Mg/c1-10(2,3)11-9-7-5-4-6-8-9;1-4(2)3;;/h4-7H,1-3H3;1-3H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide?
magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide has a molecular weight of 311.55 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methylpropane;(2-methylpropan-2-yl)oxybenzene;hydrobromide is sourced from PubChem (CID 87198252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).