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

C6H6Br4O — CID 87429937

IUPAC3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene
SMILESC=CC(Br)(Br)OC(Br)(Br)C=C
InChIInChI=1S/C6H6Br4O/c1-3-5(7,8)11-6(9,10)4-2/h3-4H,1-2H2
InChIKeyVOCDLPBMKBWOSM-UHFFFAOYSA-N
MW413.73 g/mol
LogP4.26
Rot. Bonds4

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

3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene (PubChem CID 87429937) has the molecular formula C6H6Br4O and a molecular weight of 413.73 g/mol. Its IUPAC name is 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene.

Molecular Properties

Compound Name3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene
PubChem CID87429937
Molecular FormulaC6H6Br4O
Molecular Weight413.73 g/mol
Exact Mass409.72
IUPAC Name3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene
SMILESC=CC(Br)(Br)OC(Br)(Br)C=C
InChIInChI=1S/C6H6Br4O/c1-3-5(7,8)11-6(9,10)4-2/h3-4H,1-2H2
InChIKeyVOCDLPBMKBWOSM-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,5,5-Tetrabromofuran
CID 23405377
2,3,3-Tribromo-3-(1,1,2-tribromoprop-2-enoxy)prop-1-ene
CID 56617780
1,1,3-Tribromo-3-(1,3,3-tribromoprop-2-enoxy)prop-1-ene
CID 87392400
1,1-Dibromo-3-(3,3-dibromoprop-2-enoxy)prop-1-ene
CID 87429940
1,3-Dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene
CID 173077751

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene?
The IUPAC name of 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene (CID 87429937) is 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene.
What is the SMILES notation for 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene?
The canonical SMILES for 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene is C=CC(Br)(Br)OC(Br)(Br)C=C.
What is the InChIKey of 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene?
The InChIKey is VOCDLPBMKBWOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br4O/c1-3-5(7,8)11-6(9,10)4-2/h3-4H,1-2H2.
What are the key properties of 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene?
3,3-dibromo-3-(1,1-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 3,3-dibromo-3-(1,1-dibromoprop-2-enoxy)prop-1-ene is sourced from PubChem (CID 87429937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).