2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene

C6H4Br6O — CID 56617780

IUPAC2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene
SMILESC=C(Br)C(Br)(Br)OC(Br)(Br)C(=C)Br
InChIInChI=1S/C6H4Br6O/c1-3(7)5(9,10)13-6(11,12)4(2)8/h1-2H2
InChIKeyUURICGIEYPUPRP-UHFFFAOYSA-N
MW571.52 g/mol
LogP5.71
Rot. Bonds4

About 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene

2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene (PubChem CID 56617780) has the molecular formula C6H4Br6O and a molecular weight of 571.52 g/mol. Its IUPAC name is 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene
PubChem CID56617780
Molecular FormulaC6H4Br6O
Molecular Weight571.52 g/mol
Exact Mass565.54
IUPAC Name2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene
SMILESC=C(Br)C(Br)(Br)OC(Br)(Br)C(=C)Br
InChIInChI=1S/C6H4Br6O/c1-3(7)5(9,10)13-6(11,12)4(2)8/h1-2H2
InChIKeyUURICGIEYPUPRP-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.52
LogP ≤ 55.71
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 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene?
The IUPAC name of 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene (CID 56617780) is 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene.
What is the SMILES notation for 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene?
The canonical SMILES for 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene is C=C(Br)C(Br)(Br)OC(Br)(Br)C(=C)Br.
What is the InChIKey of 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene?
The InChIKey is UURICGIEYPUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br6O/c1-3(7)5(9,10)13-6(11,12)4(2)8/h1-2H2.
What are the key properties of 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene?
2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene has a molecular weight of 571.52 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 56617780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).