chempirical

Sorbaldehyde

C6H8OCAS 142-83-696.13 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C6H8O
Molar mass
96.13 g/mol
Exact mass
96.0575 Da
Density
0.898 g/mL (at 20 °C)
Boiling point
76 °C (at 30 Torr)
logP
1.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
142-83-6
SMILES
C/C=C/C=C/C=O
InChIKey
BATOPAZDIZEVQF-MQQKCMAXSA-N
InChI
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

Weigh it out

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

Names and synonyms

8 names
  • 2,4-Hexadienal, (2E,4E)-
  • 2,4-Hexadienal, (E,E)-
  • (2E,4E)-2,4-Hexadienal
  • Sorbic aldehyde
  • (E,E)-Hexa-2,4-dienal
  • trans-2,trans-4-Hexadienal
  • (E,E)-2,4-Hexadienal
  • Trans,trans-2,4-Hexadien-1-al

Work with Sorbaldehyde

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

trans-Crotonaldehyde123-73-973 % similar Crotonaldehyde4170-30-373 % similar Trans,trans-2,4-hexadiene5194-51-450 % similar 2,4-Hexadiene592-46-150 % similar (E,E)-2,4-Heptadienal4313-03-545 % similar 2,4-Heptadienal5910-85-045 % similar (E,E)-2,4-Nonadienal5910-87-238 % similar 2,4-Nonadienal6750-03-438 % similar

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

Same formula

3-Methyl-2-penten-4-yn-1-ol105-29-3 3-Methyl-2-cyclopenten-1-one2758-18-1 2-Ethylfuran3208-16-0 3-Methyl-1-penten-4-yn-3-ol3230-69-1 (2Z)-3-Methyl-2-penten-4-yn-1-ol6153-05-5 2,5-Dimethylfuran625-86-5 Cyclohexenone930-68-7

Elsewhere

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