chempirical

γ-Octalactone

C8H14O2CAS 104-50-7142.20 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Density
0.9796 g/mL (at 19 °C)
Melting point
91 °C
Boiling point
132–133 °C (at 20 Torr)
logP
1.88Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
104-50-7
SMILES
CCCCC1CCC(=O)O1
InChIKey
IPBFYZQJXZJBFQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 2(3H)-Furanone, 5-butyldihydro-
  • Octanoic acid, 4-hydroxy-, γ-lactone
  • Octanoic acid, 4-hydroxy-, lactone
  • Caprylic acid, γ-hydroxy-, lactone
  • 5-Butyldihydro-2(3H)-furanone
  • γ-Butyl-γ-butyrolactone
  • γ-Butylbutyrolactone
  • 4-Butyl-γ-butyrolactone
  • 4-Hydroxyoctanoic acid lactone
  • γ-Octanolactone
  • 4-Octanolide
  • 5-Butyl-1-oxacyclopentan-2-one
  • 5-Butyltetrahydro-2-furanone
  • (±)-4-n-Butylbutyrolactone
  • (RS)-γ-Octalactone
  • (±)-γ-Octalactone
  • NSC 24270
  • NSC 26509
  • γ-Caprylolactone

Work with γ-Octalactone

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

Gamma-nonalactone104-61-089 % similar γ-Undecalactone104-67-686 % similar Gamma-decalactone706-14-986 % similar Delta-nonalactone3301-94-885 % similar γ-Heptalactone105-21-578 % similar δ-Decalactone705-86-276 % similar ε-Dodecalactone16429-21-373 % similar δ-Tetradecalactone2721-22-473 % similar

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

Same formula

1-Methylcyclohexanecarboxylic acid1123-25-7 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4 3-Hexenyl acetate1708-82-3 trans-2-Octenoic acid1871-67-6

Elsewhere

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