1-(1,1,2,2-tetrabromoethoxy)butane

C6H10Br4O — CID 134894303

IUPAC1-(1,1,2,2-tetrabromoethoxy)butane
SMILESCCCCOC(Br)(Br)C(Br)Br
InChIInChI=1S/C6H10Br4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3
InChIKeyZEYJMUUIEOCFRR-UHFFFAOYSA-N
MW417.76 g/mol
LogP4.36
Rot. Bonds5

About 1-(1,1,2,2-tetrabromoethoxy)butane

1-(1,1,2,2-tetrabromoethoxy)butane (PubChem CID 134894303) has the molecular formula C6H10Br4O and a molecular weight of 417.76 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrabromoethoxy)butane.

Molecular Properties

Compound Name1-(1,1,2,2-tetrabromoethoxy)butane
PubChem CID134894303
Molecular FormulaC6H10Br4O
Molecular Weight417.76 g/mol
Exact Mass413.75
IUPAC Name1-(1,1,2,2-tetrabromoethoxy)butane
SMILESCCCCOC(Br)(Br)C(Br)Br
InChIInChI=1S/C6H10Br4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3
InChIKeyZEYJMUUIEOCFRR-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.76
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrabromoethoxy)butane?
The IUPAC name of 1-(1,1,2,2-tetrabromoethoxy)butane (CID 134894303) is 1-(1,1,2,2-tetrabromoethoxy)butane.
What is the SMILES notation for 1-(1,1,2,2-tetrabromoethoxy)butane?
The canonical SMILES for 1-(1,1,2,2-tetrabromoethoxy)butane is CCCCOC(Br)(Br)C(Br)Br.
What is the InChIKey of 1-(1,1,2,2-tetrabromoethoxy)butane?
The InChIKey is ZEYJMUUIEOCFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3.
What are the key properties of 1-(1,1,2,2-tetrabromoethoxy)butane?
1-(1,1,2,2-tetrabromoethoxy)butane has a molecular weight of 417.76 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrabromoethoxy)butane is sourced from PubChem (CID 134894303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).