2,4-Heptadienal

C₇H₁₀OCAS 5910-85-0110.16 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₇H₁₀O
Molar mass: 110.16 g/mol
Exact mass: 110.0732 Da
Boiling point: 58–60 °C (at 5 Torr)
logP: 1.71Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

5910-85-0

SMILES

CCC=CC=CC=O

InChIKey

SATICYYAWWYRAM-UHFFFAOYSA-N

InChI

InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

2,4-Heptadien-1-al

Work with 2,4-Heptadienal

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

(E,E)-2,4-Heptadienal4313-03-5100 % similar (E)-2-Pentenal1576-87-079 % similar Trans,cis-2,6-nonadienal557-48-258 % similar (E,E)-2,4-Nonadienal5910-87-254 % similar 2,4-Nonadienal6750-03-454 % similar 2,4-Decadienal2363-88-452 % similar (E,E)-2,4-Decadienal25152-84-552 % similar (E,E)-2,4-Dodecadienal21662-16-850 % similar

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

Same formula

Tetrahydrobenzaldehyde100-50-5 Dicyclopropyl ketone1121-37-5 2-Cyclohepten-1-one1121-66-0 1-Cyclohexene-1-carboxaldehyde1192-88-7 3-Methyl-2-cyclohexen-1-one1193-18-6 4-Ethynyltetrahydro-2H-py...1202245-65-5 5-Norbornen-2-ol13080-90-5 1-Ethynylcyclopentanol17356-19-3

Elsewhere

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