1,1-dibromo-2,2-dimethoxyethane

C4H8Br2O2 — CID 141258763

IUPAC1,1-dibromo-2,2-dimethoxyethane
SMILESCOC(OC)C(Br)Br
InChIInChI=1S/C4H8Br2O2/c1-7-4(8-2)3(5)6/h3-4H,1-2H3
InChIKeyDVURBTQNXVGUKC-UHFFFAOYSA-N
MW247.91 g/mol
LogP1.72
Rot. Bonds3

About 1,1-dibromo-2,2-dimethoxyethane

1,1-dibromo-2,2-dimethoxyethane (PubChem CID 141258763) has the molecular formula C4H8Br2O2 and a molecular weight of 247.91 g/mol. Its IUPAC name is 1,1-dibromo-2,2-dimethoxyethane.

Molecular Properties

Compound Name1,1-dibromo-2,2-dimethoxyethane
PubChem CID141258763
Molecular FormulaC4H8Br2O2
Molecular Weight247.91 g/mol
Exact Mass245.89
IUPAC Name1,1-dibromo-2,2-dimethoxyethane
SMILESCOC(OC)C(Br)Br
InChIInChI=1S/C4H8Br2O2/c1-7-4(8-2)3(5)6/h3-4H,1-2H3
InChIKeyDVURBTQNXVGUKC-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.91
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1,1-dibromo-2,2-dimethoxyethane?
The IUPAC name of 1,1-dibromo-2,2-dimethoxyethane (CID 141258763) is 1,1-dibromo-2,2-dimethoxyethane.
What is the SMILES notation for 1,1-dibromo-2,2-dimethoxyethane?
The canonical SMILES for 1,1-dibromo-2,2-dimethoxyethane is COC(OC)C(Br)Br.
What is the InChIKey of 1,1-dibromo-2,2-dimethoxyethane?
The InChIKey is DVURBTQNXVGUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2O2/c1-7-4(8-2)3(5)6/h3-4H,1-2H3.
What are the key properties of 1,1-dibromo-2,2-dimethoxyethane?
1,1-dibromo-2,2-dimethoxyethane has a molecular weight of 247.91 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2,2-dimethoxyethane is sourced from PubChem (CID 141258763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).