chempirical

2-Ethylbutanal

C6H12OCAS 97-96-1100.16 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Boiling point
117–119 °C
logP
1.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
97-96-1
SMILES
CCC(C=O)CC
InChIKey
UNNGUFMVYQJGTD-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Butanal, 2-ethyl-
  • Butyraldehyde, 2-ethyl-
  • Butyraldehyde, α-ethyl-
  • Diethylacetaldehyde
  • α-Ethylbutyraldehyde
  • 2-Ethylbutyraldehyde
  • 2-Ethylbutyric aldehyde
  • 3-Formylpentane
  • α-Ethylbutanal
  • NSC 6757

Work with 2-Ethylbutanal

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

2-Ethylhexanal123-05-761 % similar 2-Methylbutanal96-17-352 % similar 2,3-Dimethylpentanal32749-94-346 % similar Cyclobutanecarboxaldehyde2987-17-945 % similar Cyclopentanecarboxaldehyde872-53-745 % similar Cyclohexanecarboxaldehyde2043-61-043 % similar Cyclooctanecarboxaldehyde6688-11-543 % similar 3-Mercapto-2-methylpentanal227456-28-242 % similar

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook