2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane

C8H16Br2O — CID 22094700

IUPAC2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(C)OCC(Br)CCBr
InChIInChI=1S/C8H16Br2O/c1-8(2,3)11-6-7(10)4-5-9/h7H,4-6H2,1-3H3
InChIKeyWCHZXAGAEDTPDI-UHFFFAOYSA-N
MW288.02 g/mol
LogP3.35
Rot. Bonds4

About 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane

2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 22094700) has the molecular formula C8H16Br2O and a molecular weight of 288.02 g/mol. Its IUPAC name is 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID22094700
Molecular FormulaC8H16Br2O
Molecular Weight288.02 g/mol
Exact Mass285.96
IUPAC Name2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(C)OCC(Br)CCBr
InChIInChI=1S/C8H16Br2O/c1-8(2,3)11-6-7(10)4-5-9/h7H,4-6H2,1-3H3
InChIKeyWCHZXAGAEDTPDI-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.02
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane (CID 22094700) is 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane is CC(C)(C)OCC(Br)CCBr.
What is the InChIKey of 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is WCHZXAGAEDTPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2O/c1-8(2,3)11-6-7(10)4-5-9/h7H,4-6H2,1-3H3.
What are the key properties of 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane?
2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 288.02 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 22094700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).