2,3-dibromooxane

C5H8Br2O — CID 10911743

IUPAC2,3-dibromooxane
SMILESBrC1CCCOC1Br
InChIInChI=1S/C5H8Br2O/c6-4-2-1-3-8-5(4)7/h4-5H,1-3H2
InChIKeyMQJVXKXCTDBRER-UHFFFAOYSA-N
MW243.93 g/mol
LogP2.28
Rot. Bonds

About 2,3-dibromooxane

2,3-dibromooxane (PubChem CID 10911743) has the molecular formula C5H8Br2O and a molecular weight of 243.93 g/mol. Its IUPAC name is 2,3-dibromooxane.

Molecular Properties

Compound Name2,3-dibromooxane
PubChem CID10911743
Molecular FormulaC5H8Br2O
Molecular Weight243.93 g/mol
Exact Mass241.89
IUPAC Name2,3-dibromooxane
SMILESBrC1CCCOC1Br
InChIInChI=1S/C5H8Br2O/c6-4-2-1-3-8-5(4)7/h4-5H,1-3H2
InChIKeyMQJVXKXCTDBRER-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.93
LogP ≤ 52.28
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 2,3-dibromooxane?
The IUPAC name of 2,3-dibromooxane (CID 10911743) is 2,3-dibromooxane.
What is the SMILES notation for 2,3-dibromooxane?
The canonical SMILES for 2,3-dibromooxane is BrC1CCCOC1Br.
What is the InChIKey of 2,3-dibromooxane?
The InChIKey is MQJVXKXCTDBRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2O/c6-4-2-1-3-8-5(4)7/h4-5H,1-3H2.
What are the key properties of 2,3-dibromooxane?
2,3-dibromooxane has a molecular weight of 243.93 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromooxane is sourced from PubChem (CID 10911743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).