3,3-dibromooxolane

C4H6Br2O — CID 57149918

IUPAC3,3-dibromooxolane
SMILESBrC1(Br)CCOC1
InChIInChI=1S/C4H6Br2O/c5-4(6)1-2-7-3-4/h1-3H2
InChIKeyRWJQKZOCUSUDIB-UHFFFAOYSA-N
MW229.90 g/mol
LogP1.89
Rot. Bonds

About 3,3-dibromooxolane

3,3-dibromooxolane (PubChem CID 57149918) has the molecular formula C4H6Br2O and a molecular weight of 229.90 g/mol. Its IUPAC name is 3,3-dibromooxolane.

Molecular Properties

Compound Name3,3-dibromooxolane
PubChem CID57149918
Molecular FormulaC4H6Br2O
Molecular Weight229.90 g/mol
Exact Mass227.88
IUPAC Name3,3-dibromooxolane
SMILESBrC1(Br)CCOC1
InChIInChI=1S/C4H6Br2O/c5-4(6)1-2-7-3-4/h1-3H2
InChIKeyRWJQKZOCUSUDIB-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.90
LogP ≤ 51.89
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 3,3-dibromooxolane?
The IUPAC name of 3,3-dibromooxolane (CID 57149918) is 3,3-dibromooxolane.
What is the SMILES notation for 3,3-dibromooxolane?
The canonical SMILES for 3,3-dibromooxolane is BrC1(Br)CCOC1.
What is the InChIKey of 3,3-dibromooxolane?
The InChIKey is RWJQKZOCUSUDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2O/c5-4(6)1-2-7-3-4/h1-3H2.
What are the key properties of 3,3-dibromooxolane?
3,3-dibromooxolane has a molecular weight of 229.90 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromooxolane is sourced from PubChem (CID 57149918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).