Cyclobutanecarboxaldehyde
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
Hazards
Warning
- H302 Harmful if swallowed90.9% of notifiers
- H319 Causes serious eye irritation95.5% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501
Identifiers
CAS number
2987-17-9SMILES
O=CC1CCC1InChIKey
INVYSLWXPIEDIQ-UHFFFAOYSA-NInChI
InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2Weigh 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
Reactions
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
Cyclopentanecarboxaldehyde872-53-787 % similar
Cyclohexanecarboxaldehyde2043-61-081 % similar
Cyclooctanecarbaldehyde6688-11-581 % similar
Cyclopropanecarboxaldehyde1489-69-673 % similar
Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-855 % similar
2-Ethylhexanal123-05-750 % similar
4-Oxo-cyclohexanecarboxaldehyde96184-81-550 % similar
2-Ethylbutanal97-96-145 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.