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

C6H6Br4O — CID 87429940

IUPAC1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene
SMILESBrC(Br)=CCOCC=C(Br)Br
InChIInChI=1S/C6H6Br4O/c7-5(8)1-3-11-4-2-6(9)10/h1-2H,3-4H2
InChIKeyWLYWZDABVZTDHJ-UHFFFAOYSA-N
MW413.73 g/mol
LogP4.27
Rot. Bonds4

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

1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene (PubChem CID 87429940) has the molecular formula C6H6Br4O and a molecular weight of 413.73 g/mol. Its IUPAC name is 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene
PubChem CID87429940
Molecular FormulaC6H6Br4O
Molecular Weight413.73 g/mol
Exact Mass409.72
IUPAC Name1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene
SMILESBrC(Br)=CCOCC=C(Br)Br
InChIInChI=1S/C6H6Br4O/c7-5(8)1-3-11-4-2-6(9)10/h1-2H,3-4H2
InChIKeyWLYWZDABVZTDHJ-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene?
The IUPAC name of 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene (CID 87429940) is 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene.
What is the SMILES notation for 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene?
The canonical SMILES for 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene is BrC(Br)=CCOCC=C(Br)Br.
What is the InChIKey of 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene?
The InChIKey is WLYWZDABVZTDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br4O/c7-5(8)1-3-11-4-2-6(9)10/h1-2H,3-4H2.
What are the key properties of 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene?
1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene has a molecular weight of 413.73 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 87429940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).