1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene

C6H6Br4O — CID 173077751

IUPAC1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene
SMILESBrC=CC(Br)OC(Br)C=CBr
InChIInChI=1S/C6H6Br4O/c7-3-1-5(9)11-6(10)2-4-8/h1-6H
InChIKeyRGBKGRDAGKLIAP-UHFFFAOYSA-N
MW413.73 g/mol
LogP4.26
Rot. Bonds4

About 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene

1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene (PubChem CID 173077751) has the molecular formula C6H6Br4O and a molecular weight of 413.73 g/mol. Its IUPAC name is 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene
PubChem CID173077751
Molecular FormulaC6H6Br4O
Molecular Weight413.73 g/mol
Exact Mass409.72
IUPAC Name1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene
SMILESBrC=CC(Br)OC(Br)C=CBr
InChIInChI=1S/C6H6Br4O/c7-3-1-5(9)11-6(10)2-4-8/h1-6H
InChIKeyRGBKGRDAGKLIAP-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.73
LogP ≤ 54.26
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 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene?
The IUPAC name of 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene (CID 173077751) is 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene.
What is the SMILES notation for 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene?
The canonical SMILES for 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene is BrC=CC(Br)OC(Br)C=CBr.
What is the InChIKey of 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene?
The InChIKey is RGBKGRDAGKLIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br4O/c7-3-1-5(9)11-6(10)2-4-8/h1-6H.
What are the key properties of 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene?
1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene has a molecular weight of 413.73 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 173077751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).