chempirical

2,4-Nonadienal

C9H14OCAS 5910-87-2138.21 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C9H14O
Molar mass
138.21 g/mol
Exact mass
138.1045 Da
Density
0.85–0.87 g/mL
Boiling point
75 °C (at 3 Torr)
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5
Double bonds
E, EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,436 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
5910-87-2
SMILES
CCCC/C=C/C=C/C=O
InChIKey
ZHHYXNZJDGDGPJ-BSWSSELBSA-N
InChI
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+

Weigh it out

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

Names and synonyms

10 names
  • (E,E)-2,4-Nonadienal
  • 2,4-Nonadienal, (2E,4E)-
  • 2,4-Nonadienal, (E,E)-
  • (2E,4E)-2,4-Nonadienal
  • trans-2,trans-4-Nonadienal
  • Trans,trans-2,4-Nonadienal
  • (E,E)-2,4-Nonadien-1-al
  • (2E,4E)-Nona-2,4-dienal
  • (2E,4E)-Nonadienal
  • (2E,4E)-2,4-Nonadien-1-al

Work with 2,4-Nonadienal

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.

Nona-2,4-dienal6750-03-4Stereo not defined

Similar compounds

2,4-Decadienal2363-88-488 % similar (E,E)-2,4-Decadienal25152-84-588 % similar (E,E)-2,4-Dodecadienal21662-16-884 % similar 2,4-Undecadienal30361-29-684 % similar trans-2-Heptenal18829-55-583 % similar (E)-2-Octenal2548-87-072 % similar 2-Nonenal18829-56-669 % similar 2-Dodecenal20407-84-569 % similar

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

Same formula

1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-5 2-Pentylfuran3777-69-3 Phorone504-20-1 2,3,4,5-Tetramethyl-2-cyclopentenone54458-61-6 Trans,cis-2,6-Nonadienal557-48-2 Triplal68039-49-6 1-(1-Propynyl)cyclohexanol697-37-0

Elsewhere

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