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

C6H4Br6O — CID 87392400

IUPAC1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene
SMILESBrC(Br)=CC(Br)OC(Br)C=C(Br)Br
InChIInChI=1S/C6H4Br6O/c7-3(8)1-5(11)13-6(12)2-4(9)10/h1-2,5-6H
InChIKeyRTSLUIIPPCSVQM-UHFFFAOYSA-N
MW571.52 g/mol
LogP5.71
Rot. Bonds4

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

1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene (PubChem CID 87392400) has the molecular formula C6H4Br6O and a molecular weight of 571.52 g/mol. Its IUPAC name is 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene
PubChem CID87392400
Molecular FormulaC6H4Br6O
Molecular Weight571.52 g/mol
Exact Mass565.54
IUPAC Name1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene
SMILESBrC(Br)=CC(Br)OC(Br)C=C(Br)Br
InChIInChI=1S/C6H4Br6O/c7-3(8)1-5(11)13-6(12)2-4(9)10/h1-2,5-6H
InChIKeyRTSLUIIPPCSVQM-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 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene?
The IUPAC name of 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene (CID 87392400) is 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene.
What is the SMILES notation for 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene?
The canonical SMILES for 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene is BrC(Br)=CC(Br)OC(Br)C=C(Br)Br.
What is the InChIKey of 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene?
The InChIKey is RTSLUIIPPCSVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br6O/c7-3(8)1-5(11)13-6(12)2-4(9)10/h1-2,5-6H.
What are the key properties of 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene?
1,1,3-tribromo-3-(1,3,3-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 1,1,3-tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 87392400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).