chempirical

Delta-octalactone

C8H14O2CAS 698-76-0142.20 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Boiling point
115–117 °C (at 12 Torr)
logP
1.88Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
698-76-0
SMILES
CCCC1CCCC(=O)O1
InChIKey
FYTRVXSHONWYNE-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • 2H-Pyran-2-one, tetrahydro-6-propyl-
  • Octanoic acid, 5-hydroxy-, δ-lactone
  • Octanoic acid, 5-hydroxy-, lactone
  • Tetrahydro-6-propyl-2H-pyran-2-one
  • 5-Hydroxyoctanoic acid lactone
  • 5-Hydroxyoctanoic acid δ-lactone
  • δ-Octalactone
  • δ-Propyl-δ-valerolactone
  • 5-Octanolide
  • (±)-δ-Octalactone
  • (RS)-δ-Octalactone
  • δ-Octanolactone

Work with Delta-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

Delta-nonalactone3301-94-885 % similar δ-Decalactone705-86-282 % similar δ-Tetradecalactone2721-22-479 % similar δ-Undecalactone710-04-379 % similar δ-Dodecalactone713-95-179 % similar ε-Dodecalactone16429-21-373 % similar Cyclohexyl butyrate1551-44-672 % similar Gamma-decalactone706-14-968 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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