1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane

C8H14Br4O2 — CID 154093304

IUPAC1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane
SMILESBrCC(Br)COCCOCC(Br)CBr
InChIInChI=1S/C8H14Br4O2/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-8H,1-6H2
InChIKeyBYACMCWRYJMGKG-UHFFFAOYSA-N
MW461.81 g/mol
LogP3.34
Rot. Bonds9

About 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane

1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane (PubChem CID 154093304) has the molecular formula C8H14Br4O2 and a molecular weight of 461.81 g/mol. Its IUPAC name is 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane.

Molecular Properties

Compound Name1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane
PubChem CID154093304
Molecular FormulaC8H14Br4O2
Molecular Weight461.81 g/mol
Exact Mass457.77
IUPAC Name1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane
SMILESBrCC(Br)COCCOCC(Br)CBr
InChIInChI=1S/C8H14Br4O2/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-8H,1-6H2
InChIKeyBYACMCWRYJMGKG-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.81
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(2,3-dibromopropoxy)butane
CID 139648605
(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane
CID 98134035
1,2-dibromo-3-(2,3-dibromopropoxymethoxy)propane
CID 12585580
tris[(2R)-2,3-dibromopropyl] phosphate
CID 76964191
bis[(2R)-2,3-dibromopropyl] [(2S)-2,3-dibromopropyl] phosphate
CID 76964192
[(2R)-2,3-dibromopropyl] bis[(2S)-2,3-dibromopropyl] phosphate
CID 25021510
2,3-dibromopropyl carbamate
CID 541684
2,3-dibromopropyl hydrogen sulfate
CID 3015809
1,2-dibromo-3-[1,2-dibromoethyl(2,3-dibromopropoxy)phosphoryl]oxypropane
CID 54507285
1-bromo-2-(2-ethoxyethoxymethyl)butane
CID 64995451
CID 131878530
CID 131878530
1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane
CID 57314653

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane?
The IUPAC name of 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane (CID 154093304) is 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane.
What is the SMILES notation for 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane?
The canonical SMILES for 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane is BrCC(Br)COCCOCC(Br)CBr.
What is the InChIKey of 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane?
The InChIKey is BYACMCWRYJMGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br4O2/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-8H,1-6H2.
What are the key properties of 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane?
1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane has a molecular weight of 461.81 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-[2-(2,3-dibromopropoxy)ethoxy]propane is sourced from PubChem (CID 154093304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).