2,4-Heptadienal

C7H10OCAS 5910-85-0110.16 g/mol

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O
AldehydeAlkene

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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,4-Heptadienal4313-03-5Defined stereoisomer

Similar compounds

(E)-2-Pentenal1576-87-079 % similar Trans,cis-2,6-Nonadienal557-48-258 % similar 2,4-Nonadienal5910-87-254 % similar Nona-2,4-dienal6750-03-454 % similar 2,4-Decadienal2363-88-452 % similar (E,E)-2,4-Decadienal25152-84-552 % similar (E,E)-2,4-Dodecadienal21662-16-850 % similar 2,4-Undecadienal30361-29-650 % 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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