cyclobutene;dihydrobromide

C4H8Br2 — CID 88606852

IUPACcyclobutene;dihydrobromide
SMILESBr.Br.C1=CCC1
InChIInChI=1S/C4H6.2BrH/c1-2-4-3-1;;/h1-2H,3-4H2;2*1H
InChIKeyNHEVOKIFLJUOGV-UHFFFAOYSA-N
MW215.92 g/mol
LogP2.49
Rot. Bonds

About cyclobutene;dihydrobromide

cyclobutene;dihydrobromide (PubChem CID 88606852) has the molecular formula C4H8Br2 and a molecular weight of 215.92 g/mol. Its IUPAC name is cyclobutene;dihydrobromide.

Molecular Properties

Compound Namecyclobutene;dihydrobromide
PubChem CID88606852
Molecular FormulaC4H8Br2
Molecular Weight215.92 g/mol
Exact Mass213.90
IUPAC Namecyclobutene;dihydrobromide
SMILESBr.Br.C1=CCC1
InChIInChI=1S/C4H6.2BrH/c1-2-4-3-1;;/h1-2H,3-4H2;2*1H
InChIKeyNHEVOKIFLJUOGV-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.92
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutene;dihydrobromide?
The IUPAC name of cyclobutene;dihydrobromide (CID 88606852) is cyclobutene;dihydrobromide.
What is the SMILES notation for cyclobutene;dihydrobromide?
The canonical SMILES for cyclobutene;dihydrobromide is Br.Br.C1=CCC1.
What is the InChIKey of cyclobutene;dihydrobromide?
The InChIKey is NHEVOKIFLJUOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.2BrH/c1-2-4-3-1;;/h1-2H,3-4H2;2*1H.
What are the key properties of cyclobutene;dihydrobromide?
cyclobutene;dihydrobromide has a molecular weight of 215.92 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutene;dihydrobromide is sourced from PubChem (CID 88606852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).