chempirical

Delta-nonalactone

C9H16O2CAS 3301-94-8156.22 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C9H16O2
Molar mass
156.22 g/mol
Exact mass
156.1150 Da
Boiling point
137–138 °C (at 11 Torr)
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
3301-94-8
SMILES
CCCCC1CCCC(=O)O1
InChIKey
PXRBWNLUQYZAAX-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h8H,2-7H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 2H-Pyran-2-one, 6-butyltetrahydro-
  • Nonanoic acid, 5-hydroxy-, δ-lactone
  • Nonanoic acid, 5-hydroxy-, lactone
  • 6-Butyltetrahydro-2H-pyran-2-one
  • 5-Hydroxynonanoic acid δ-lactone
  • δ-Nonalactone
  • δ-Butylvalerolactone
  • Nonan-1,5-olide
  • δ-Butyl-δ-valerolactone
  • 5-Nonanolide
  • (±)-δ-Nonalactone
  • (RS)-δ-Nonalactone
  • δ-Nonanolactone

Work with Delta-nonalactone

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

δ-Decalactone705-86-289 % similar δ-Tetradecalactone2721-22-486 % similar δ-Undecalactone710-04-386 % similar δ-Dodecalactone713-95-186 % similar γ-Octalactone104-50-785 % similar Delta-octalactone698-76-085 % similar ε-Dodecalactone16429-21-379 % similar γ-Undecalactone104-67-673 % 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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