chempirical

γ-Heptalactone

C7H12O2CAS 105-21-5128.17 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Density
0.98 g/mL
Boiling point
118–120 °C (at 15 Torr)
logP
1.49Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
105-21-5
SMILES
CCCC1CCC(=O)O1
InChIKey
VLSVVMPLPMNWBH-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all
  • 2(3H)-Furanone, dihydro-5-propyl-
  • Heptanoic acid, 4-hydroxy-, γ-lactone
  • Enanthic acid, γ-hydroxy-, lactone
  • Dihydro-5-propyl-2(3H)-furanone
  • γ-Propiobutyrolactone
  • 4-Hydroxyheptanoic acid lactone
  • γ-Heptanolactone
  • γ-Propyl-γ-butyrolactone
  • 4-Propyl-4-butanolide
  • Tetrahydro-5-propyl-2-furanone
  • 4-Heptanolide
  • (±)-γ-Propyl-γ-butyrolactone
  • (±)-4-n-Propylbutyrolactone
  • (RS)-γ-Heptalactone
  • (±)-γ-Heptalactone
  • NSC 46097
  • NSC 46352

Work with γ-Heptalactone

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

γ-Octalactone104-50-778 % similar Delta-octalactone698-76-078 % similar Gamma-nonalactone104-61-075 % similar γ-Undecalactone104-67-672 % similar Gamma-decalactone706-14-972 % similar γ-Hexalactone695-06-767 % similar Cyclohexyl butyrate1551-44-666 % similar Delta-nonalactone3301-94-866 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-5

Elsewhere

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