chempirical

2-Nonenal

C9H16OCAS 2463-53-8140.23 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C9H16O
Molar mass
140.23 g/mol
Exact mass
140.1201 Da
Density
0.898 g/mL (at 21 °C)
Boiling point
115–117 °C (at 35 Torr)
logP
2.71Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
2463-53-8
SMILES
CCCCCCC=CC=O
InChIKey
BSAIUMLZVGUGKX-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • 2-Nonen-1-al
  • NSC 20746

Work with 2-Nonenal

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)-2-Dodecenal20407-84-5100 % similar 2-Undecenal2463-77-6100 % similar (E)-2-Decenal3913-81-3100 % similar (E)-2-Undecenal53448-07-0100 % similar (E)-2-Octenal2548-87-095 % similar (E,E)-2,4-Dodecadienal21662-16-884 % similar (2E,4E)-2,4-Undecadienal30361-29-684 % similar trans-2-Heptenal18829-55-583 % similar

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

Same formula

Cyclohexylacetone103-78-6 (±)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook