(E,E)-2,4-Dodecadienal

C₁₂H₂₀OCAS 21662-16-8180.29 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₁₂H₂₀O
Molar mass: 180.29 g/mol
Exact mass: 180.1514 Da
Density: 0.983–0.989 g/mL
logP: 3.66Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8
Double bonds: E, EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation92.2% of notifiers

Aggregated from 1,443 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

Identifiers

CAS number

21662-16-8

SMILES

CCCCCCC/C=C/C=C/C=O

InChIKey

QKTZBZWNADPFOL-BNFZFUHLSA-N

InChI

InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+

Weigh it out

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

Names and synonyms

4 names

2,4-Dodecadienal, (2E,4E)-
2,4-Dodecadienal, (E,E)-
(2E,4E)-2,4-Dodecadienal
2-trans-4-trans-Dodecadienal

Work with (E,E)-2,4-Dodecadienal

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

2,4-Undecadienal30361-29-6100 % similar 2,4-Decadienal2363-88-496 % similar (E,E)-2,4-Decadienal25152-84-596 % similar 2-Nonenal18829-56-684 % similar 2-Dodecenal20407-84-584 % similar 2-Nonenal2463-53-884 % similar 2-Undecenal2463-77-684 % similar (2E)-Decenal3913-81-384 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethyl-2-adamantanol14648-57-8 2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol6240-11-5 1-Hydroxy-3,5-dimethyladamantane707-37-9 2-Cyclohexylcyclohexanone90-42-6

Elsewhere

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