2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane

C₁₀H₁₉BrO₂ — CID 131857891

About 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane

2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane (PubChem CID 131857891) has the molecular formula C₁₀H₁₉BrO₂ and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane.

Molecular Properties

• Compound Name: 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
• PubChem CID: 131857891
• Molecular Formula: C₁₀H₁₉BrO₂
• Molecular Weight: 251.16 g/mol
• Exact Mass: 250.06
• IUPAC Name: 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane
• SMILES: CC(C)(C)O/C=C(/Br)OC(C)(C)C
• InChI: InChI=1S/C10H19BrO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7-
• InChIKey: PQZBFEQZRAKLDC-FPLPWBNLSA-N
• XLogP: 3.81
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.16
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?

The IUPAC name of 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane (CID 131857891) is 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane.

What is the SMILES notation for 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?

The canonical SMILES for 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane is CC(C)(C)O/C=C(/Br)OC(C)(C)C.

What is the InChIKey of 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?

The InChIKey is PQZBFEQZRAKLDC-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-9(2,3)12-7-8(11)13-10(4,5)6/h7H,1-6H3/b8-7-.

What are the key properties of 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane?

2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane has a molecular weight of 251.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-bromo-2-[(2-methylpropan-2-yl)oxy]ethenoxy]-2-methylpropane is sourced from PubChem (CID 131857891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131857891 — identifiers, structure, computed properties (public domain)

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