chempirical

4-Hydroxynonenal

C9H16O2CAS 75899-68-2156.22 g/mol

Open in Covalent MOL file
OHO
AlcoholAldehydeAlkene

Properties

Molecular formula
C9H16O2
Molar mass
156.22 g/mol
Exact mass
156.1150 Da
Boiling point
125–127 °C (at 2 Torr)
logP
1.68Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
75899-68-2
SMILES
CCCCCC(O)/C=C/C=O
InChIKey
JVJFIQYAHPMBBX-FNORWQNLNA-N
InChI
InChI=1/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+

Weigh it out

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

Names and synonyms

8 names
  • 2-Nonenal, 4-hydroxy-, (2E)-
  • (2E)-4-Hydroxy-2-nonenal
  • (E)-4-Hydroxy-2-nonenal
  • 4-Hydroxy-2(E)-nonenal
  • 4-Hydroxy-2-trans-nonenal
  • 4-Hydroxy-2-(E)-nonenal
  • 4-Hydroxy-2-nonenal
  • Nonenal, 4-hydroxy-

Work with 4-Hydroxynonenal

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

1-Octen-3-ol3391-86-452 % similar 1-Nonen-3-ol21964-44-350 % similar (E)-2-Octenal2548-87-050 % similar 2-Nonenal18829-56-648 % similar (E)-2-Dodecenal20407-84-548 % similar 2-Nonenal2463-53-848 % similar 2-Undecenal2463-77-648 % similar (E)-2-Decenal3913-81-348 % similar

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

Same formula

Gamma-nonalactone104-61-0 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-6 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 Hexyl acrylate2499-95-8 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9

Elsewhere

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