chempirical

γ-Dodecalactone

C12H22O2CAS 2305-05-7198.31 g/mol

Open in Covalent MOL file
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EsterLactone

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
Density
0.9383 g/mL (at 20 °C)
Melting point
17–18 °C
Boiling point
130 °C (at 0.51 Torr)
logP
3.44Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
2305-05-7
SMILES
CCCCCCCCC1CCC(=O)O1
InChIKey
WGPCZPLRVAWXPW-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • 2(3H)-Furanone, dihydro-5-octyl-
  • Dodecanoic acid, 4-hydroxy-, γ-lactone
  • Dihydro-5-octyl-2(3H)-furanone
  • 4-Dodecanolide
  • γ-Octyl-γ-butyrolactone
  • 4-Hydroxydodecanoic acid lactone
  • γ-Dodecanolactone
  • 4-Hydroxydodecanoic acid γ-lactone
  • 5-Octyltetrahydro-2-furanone
  • (±)-4-n-Octylbutyrolactone
  • (RS)-γ-Dodecalactone
  • (±)-γ-Dodecalactone
  • NSC 26511
  • γ-Laurolactone
  • 5-Octyldihydrofuran-2(3H)-one

Work with γ-Dodecalactone

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-Undecalactone104-67-6100 % similar Gamma-decalactone706-14-9100 % similar Gamma-nonalactone104-61-096 % similar δ-Tetradecalactone2721-22-486 % similar δ-Undecalactone710-04-386 % similar δ-Dodecalactone713-95-186 % similar γ-Octalactone104-50-786 % similar δ-Decalactone705-86-283 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 Menthyl acetate2623-23-6

Elsewhere

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