2-bromo-3-(3-bromooxolan-2-yl)oxolane

C8H12Br2O2 — CID 15700617

IUPAC2-bromo-3-(3-bromooxolan-2-yl)oxolane
SMILESBrC1CCOC1C1CCOC1Br
InChIInChI=1S/C8H12Br2O2/c9-6-2-4-11-7(6)5-1-3-12-8(5)10/h5-8H,1-4H2
InChIKeyGBWWMODMPVBXLD-UHFFFAOYSA-N
MW299.99 g/mol
LogP2.30
Rot. Bonds1

About 2-bromo-3-(3-bromooxolan-2-yl)oxolane

2-bromo-3-(3-bromooxolan-2-yl)oxolane (PubChem CID 15700617) has the molecular formula C8H12Br2O2 and a molecular weight of 299.99 g/mol. Its IUPAC name is 2-bromo-3-(3-bromooxolan-2-yl)oxolane.

Molecular Properties

Compound Name2-bromo-3-(3-bromooxolan-2-yl)oxolane
PubChem CID15700617
Molecular FormulaC8H12Br2O2
Molecular Weight299.99 g/mol
Exact Mass297.92
IUPAC Name2-bromo-3-(3-bromooxolan-2-yl)oxolane
SMILESBrC1CCOC1C1CCOC1Br
InChIInChI=1S/C8H12Br2O2/c9-6-2-4-11-7(6)5-1-3-12-8(5)10/h5-8H,1-4H2
InChIKeyGBWWMODMPVBXLD-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.99
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-bromo-3-(3-bromooxolan-2-yl)oxolane?
The IUPAC name of 2-bromo-3-(3-bromooxolan-2-yl)oxolane (CID 15700617) is 2-bromo-3-(3-bromooxolan-2-yl)oxolane.
What is the SMILES notation for 2-bromo-3-(3-bromooxolan-2-yl)oxolane?
The canonical SMILES for 2-bromo-3-(3-bromooxolan-2-yl)oxolane is BrC1CCOC1C1CCOC1Br.
What is the InChIKey of 2-bromo-3-(3-bromooxolan-2-yl)oxolane?
The InChIKey is GBWWMODMPVBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2O2/c9-6-2-4-11-7(6)5-1-3-12-8(5)10/h5-8H,1-4H2.
What are the key properties of 2-bromo-3-(3-bromooxolan-2-yl)oxolane?
2-bromo-3-(3-bromooxolan-2-yl)oxolane has a molecular weight of 299.99 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(3-bromooxolan-2-yl)oxolane is sourced from PubChem (CID 15700617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).