chempirical

Bicyclobutane

C4H6CAS 157-33-554.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C4H6
Molar mass
54.09 g/mol
Exact mass
54.0470 Da
logP
1.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
157-33-5
SMILES
C1C2C1C2
InChIKey
LASLVGACQUUOEB-UHFFFAOYSA-N
InChI
InChI=1S/C4H6/c1-3-2-4(1)3/h3-4H,1-2H2

Weigh it out

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Names and synonyms

5 names
  • Bicyclo[1.1.0]butane
  • Bicyclo(1.1.0)butane
  • Bicyclobutadiene
  • Bicyclo[1,1,0]butane
  • Bicyclo[1.1.0]butan

Reactions

Work with Bicyclobutane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Housane185-94-456 % similar exo-Tetrahydrodicyclopentadiene2825-82-336 % similar endo-Tetrahydrodicyclopentadiene2825-83-436 % similar Adamantane281-23-233 % similar 3-Azabicyclo[3.1.0]hexane hydrochloride73799-64-133 % similar 1,3-Diisopropylcyclohexane7045-70-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Butadiene106-99-0 1-Butyne107-00-6 1-Methylcyclopropene3100-04-7 2-Butyne503-17-3 1,2-Butadiene590-19-2 Cyclobutene822-35-5

Elsewhere

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