trans-2-Hexenal
Properties
- Molecular formula
- C6H10O
- Molar mass
- 98.14 g/mol
- Exact mass
- 98.0732 Da
- Melting point
- 159.6 °C
- Boiling point
- 146.5 °C
- logP
- 1.54Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
6728-26-3SMILES
CCC/C=C/C=OInChIKey
MBDOYVRWFFCFHM-SNAWJCMRSA-NInChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 2-Hexenal, (2E)-
- 2-Hexenal, (E)-
- Leaf aldehyde
- (2E)-2-Hexenal
- trans-2-Hexen-1-al
- (E)-2-Hexenal
- (E)-2-Hexen-1-al
- (2E)-Hexenal
- Green leaf aldehyde
- (E)-Hex-2-enal
Work with trans-2-Hexenal
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
trans-2-Heptenal18829-55-573 % similar
(E)-2-Octenal2548-87-070 % similar
2-Nonenal18829-56-667 % similar
(E)-2-Dodecenal20407-84-567 % similar
2-Nonenal2463-53-867 % similar
2-Undecenal2463-77-667 % similar
(E)-2-Decenal3913-81-367 % similar
(E)-2-Undecenal53448-07-067 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds