Magnesium;2-methylpropane;octoxybenzene;hydrobromide

C₁₈H₃₁BrMgO — CID 87198466

About Magnesium;2-methylpropane;octoxybenzene;hydrobromide

Magnesium;2-methylpropane;octoxybenzene;hydrobromide (PubChem CID 87198466) has the molecular formula C₁₈H₃₁BrMgO and a molecular weight of 367.65 g/mol. Its IUPAC name is magnesium;2-methylpropane;octoxybenzene;hydrobromide.

Molecular Properties

• Compound Name: Magnesium;2-methylpropane;octoxybenzene;hydrobromide
• PubChem CID: 87198466
• Molecular Formula: C₁₈H₃₁BrMgO
• Molecular Weight: 367.65 g/mol
• Exact Mass: 366.14
• IUPAC Name: magnesium;2-methylpropane;octoxybenzene;hydrobromide
• SMILES: Br.CCCCCCCCOc1[c-]cccc1.C[C-](C)C.[Mg+2]
• InChI: InChI=1S/C14H21O.C4H9.BrH.Mg/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;1-4(2)3;;/h7-9,11H,2-6,10,13H2,1H3;1-3H3;1H;/q2*-1;;+2
• InChIKey: YPEDEWSDIXEGPS-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.65
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Magnesium;2-methylpropane;octoxybenzene;hydrobromide?

The IUPAC name of Magnesium;2-methylpropane;octoxybenzene;hydrobromide (CID 87198466) is magnesium;2-methylpropane;octoxybenzene;hydrobromide.

What is the SMILES notation for Magnesium;2-methylpropane;octoxybenzene;hydrobromide?

The canonical SMILES for Magnesium;2-methylpropane;octoxybenzene;hydrobromide is Br.CCCCCCCCOc1[c-]cccc1.C[C-](C)C.[Mg+2].

What is the InChIKey of Magnesium;2-methylpropane;octoxybenzene;hydrobromide?

The InChIKey is YPEDEWSDIXEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O.C4H9.BrH.Mg/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14;1-4(2)3;;/h7-9,11H,2-6,10,13H2,1H3;1-3H3;1H;/q2*-1;;+2.

What are the key properties of Magnesium;2-methylpropane;octoxybenzene;hydrobromide?

Magnesium;2-methylpropane;octoxybenzene;hydrobromide has a molecular weight of 367.65 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Magnesium;2-methylpropane;octoxybenzene;hydrobromide is sourced from PubChem (CID 87198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87198466 — identifiers, structure, computed properties (public domain)

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