molecular bromine;oxolane

C4H8Br2O — CID 86660775

IUPACmolecular bromine;oxolane
SMILESBrBr.C1CCOC1
InChIInChI=1S/C4H8O.Br2/c1-2-4-5-3-1;1-2/h1-4H2;
InChIKeyUJEGYZXDPDDXIV-UHFFFAOYSA-N
MW231.91 g/mol
LogP2.49
Rot. Bonds

About molecular bromine;oxolane

molecular bromine;oxolane (PubChem CID 86660775) has the molecular formula C4H8Br2O and a molecular weight of 231.91 g/mol. Its IUPAC name is molecular bromine;oxolane.

Molecular Properties

Compound Namemolecular bromine;oxolane
PubChem CID86660775
Molecular FormulaC4H8Br2O
Molecular Weight231.91 g/mol
Exact Mass229.89
IUPAC Namemolecular bromine;oxolane
SMILESBrBr.C1CCOC1
InChIInChI=1S/C4H8O.Br2/c1-2-4-5-3-1;1-2/h1-4H2;
InChIKeyUJEGYZXDPDDXIV-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.91
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
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1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxacycloheptadecane
CID 22011753
oxolane;titanium
CID 160710512
cyclohexane;oxane
CID 20574508
oxolane;oxonane
CID 159283889

Frequently Asked Questions

What is the IUPAC name of molecular bromine;oxolane?
The IUPAC name of molecular bromine;oxolane (CID 86660775) is molecular bromine;oxolane.
What is the SMILES notation for molecular bromine;oxolane?
The canonical SMILES for molecular bromine;oxolane is BrBr.C1CCOC1.
What is the InChIKey of molecular bromine;oxolane?
The InChIKey is UJEGYZXDPDDXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Br2/c1-2-4-5-3-1;1-2/h1-4H2;.
What are the key properties of molecular bromine;oxolane?
molecular bromine;oxolane has a molecular weight of 231.91 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular bromine;oxolane is sourced from PubChem (CID 86660775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).