1,2-dibromo-3-(2,3-dibromopropoxy)propane

C6H10Br4O — CID 13108538

IUPAC1,2-dibromo-3-(2,3-dibromopropoxy)propane
SMILESBrCC(Br)COCC(Br)CBr
InChIInChI=1S/C6H10Br4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKeyYUAPUIKGYCAHGM-UHFFFAOYSA-N
MW417.76 g/mol
LogP3.32
Rot. Bonds6

About 1,2-dibromo-3-(2,3-dibromopropoxy)propane

1,2-dibromo-3-(2,3-dibromopropoxy)propane (PubChem CID 13108538) has the molecular formula C6H10Br4O and a molecular weight of 417.76 g/mol. Its IUPAC name is 1,2-dibromo-3-(2,3-dibromopropoxy)propane.

Molecular Properties

Compound Name1,2-dibromo-3-(2,3-dibromopropoxy)propane
PubChem CID13108538
Molecular FormulaC6H10Br4O
Molecular Weight417.76 g/mol
Exact Mass413.75
IUPAC Name1,2-dibromo-3-(2,3-dibromopropoxy)propane
SMILESBrCC(Br)COCC(Br)CBr
InChIInChI=1S/C6H10Br4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2
InChIKeyYUAPUIKGYCAHGM-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.76
LogP ≤ 53.32
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 1,2-dibromo-3-(2,3-dibromopropoxy)propane?
The IUPAC name of 1,2-dibromo-3-(2,3-dibromopropoxy)propane (CID 13108538) is 1,2-dibromo-3-(2,3-dibromopropoxy)propane.
What is the SMILES notation for 1,2-dibromo-3-(2,3-dibromopropoxy)propane?
The canonical SMILES for 1,2-dibromo-3-(2,3-dibromopropoxy)propane is BrCC(Br)COCC(Br)CBr.
What is the InChIKey of 1,2-dibromo-3-(2,3-dibromopropoxy)propane?
The InChIKey is YUAPUIKGYCAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2.
What are the key properties of 1,2-dibromo-3-(2,3-dibromopropoxy)propane?
1,2-dibromo-3-(2,3-dibromopropoxy)propane has a molecular weight of 417.76 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-(2,3-dibromopropoxy)propane is sourced from PubChem (CID 13108538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).