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

C7H12Br4O2 — CID 98134035

IUPAC(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane
SMILESBrC[C@H](Br)COCOC[C@@H](Br)CBr
InChIInChI=1S/C7H12Br4O2/c8-1-6(10)3-12-5-13-4-7(11)2-9/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyDUQWOWBBMLWHPB-BQBZGAKWSA-N
MW447.79 g/mol
LogP3.29
Rot. Bonds8

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

(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane (PubChem CID 98134035) has the molecular formula C7H12Br4O2 and a molecular weight of 447.79 g/mol. Its IUPAC name is (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane.

Molecular Properties

Compound Name(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane
PubChem CID98134035
Molecular FormulaC7H12Br4O2
Molecular Weight447.79 g/mol
Exact Mass443.76
IUPAC Name(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane
SMILESBrC[C@H](Br)COCOC[C@@H](Br)CBr
InChIInChI=1S/C7H12Br4O2/c8-1-6(10)3-12-5-13-4-7(11)2-9/h6-7H,1-5H2/t6-,7-/m0/s1
InChIKeyDUQWOWBBMLWHPB-BQBZGAKWSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.79
LogP ≤ 53.29
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane?
The IUPAC name of (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane (CID 98134035) is (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane.
What is the SMILES notation for (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane?
The canonical SMILES for (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane is BrC[C@H](Br)COCOC[C@@H](Br)CBr.
What is the InChIKey of (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane?
The InChIKey is DUQWOWBBMLWHPB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12Br4O2/c8-1-6(10)3-12-5-13-4-7(11)2-9/h6-7H,1-5H2/t6-,7-/m0/s1.
What are the key properties of (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane?
(2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane has a molecular weight of 447.79 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dibromo-3-[[(2R)-2,3-dibromopropoxy]methoxy]propane is sourced from PubChem (CID 98134035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).