chempirical

Cyclobutanecarboxaldehyde

C5H8OCAS 2987-17-984.12 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C5H8O
Molar mass
84.12 g/mol
Exact mass
84.0575 Da
Density
0.9355 g/mL (at 20 °C)
Boiling point
116–118 °C
logP
0.99Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2987-17-9
SMILES
O=CC1CCC1
InChIKey
INVYSLWXPIEDIQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Cyclobutanaldehyde
  • Formylcyclobutane
  • Cyclobutylcarboxaldehyde
  • Cyclobutanecarbaldehyde
  • 1-Cyclobutane-aldehyde

Work with Cyclobutanecarboxaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexanecarboxaldehyde2043-61-081 % similar Cyclooctanecarboxaldehyde6688-11-581 % similar Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-855 % similar 2-Ethylhexanal123-05-750 % similar 2-Ethylbutanal97-96-145 % similar Tetrahydro-3-furancarboxaldehyde79710-86-443 % similar Tetrahydro-2-furancarboxaldehyde7681-84-738 % similar 1-(Phenylmethyl)-4-piperidinecarboxaldehyde22065-85-637 % similar

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

Same formula

3-Pentyn-1-ol10229-10-4 3-Methyl-2-butenal107-86-8 3,4-Dihydropyran110-87-2 2-Methylbut-3-yn-2-ol115-19-5 Cyclopentanone120-92-3 3-Cyclopenten-1-ol14320-38-8 (E)-2-Pentenal1576-87-0 1-Penten-3-one1629-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook