trans-2-Methyl-2-butenal
Properties
- Molecular formula
- C5H8O
- Molar mass
- 84.12 g/mol
- Exact mass
- 84.0575 Da
- Density
- 0.886 g/mL (at 0 °C)
- Boiling point
- 117 °C
- logP
- 1.15Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
497-03-0SMILES
C/C=C(C)C=OInChIKey
ACWQBUSCFPJUPN-HWKANZROSA-NInChI
InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 2-Butenal, 2-methyl-, (2E)-
- Crotonaldehyde, 2-methyl-, (E)-
- Tiglaldehyde
- 2-Butenal, 2-methyl-, (E)-
- (2E)-2-Methyl-2-butenal
- Tiglic aldehyde
- trans-Tiglaldehyde
- (E)-2-Methylbut-2-en-1-al
- (E)-2-Methyl-2-butenal
- NSC 2179
Work with trans-2-Methyl-2-butenal
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
(E)-2-Methyl-2-pentenal14250-96-546 % similar
2-Methyl-2-pentenal623-36-946 % similar
α-Methylcinnamaldehyde101-39-339 % similar
Allo-ocimene673-84-738 % similar
4-(Acetyloxy)-2-methyl-2-butenal14918-80-037 % similar
Methylglyoxal78-98-836 % similar
2-Methyl-2-butene513-35-935 % similar
Methacrolein78-85-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds