chempirical

Sotolon

C6H8O3CAS 28664-35-9128.13 g/mol

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OHOO
AlkeneEsterLactone

Properties

Molecular formula
C6H8O3
Molar mass
128.13 g/mol
Exact mass
128.0473 Da
Boiling point
82–84 °C (at 0.02 Torr)
logP
0.76Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
28664-35-9
SMILES
CC1=C(O)C(=O)OC1C
InChIKey
UNYNVICDCJHOPO-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3

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Names and synonyms

7 names
  • 2(5H)-Furanone, 3-hydroxy-4,5-dimethyl-
  • 3-Hydroxy-4,5-dimethyl-2(5H)-furanone
  • 3,4-Dimethyl-2-hydroxy-2-butan-1,4-olide
  • Sotolone
  • 4,5-Dimethyl-3-hydroxy-2(5H)-furanone
  • Sautalone
  • 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one

Work with Sotolon

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

5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone698-10-255 % similar (2S)-2-(Acetyloxy)propanoic acid6034-46-438 % similar 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-638 % similar D-Lactide13076-17-034 % similar L-Lactide homopolymer33135-50-134 % similar Lactide4511-42-634 % similar Lactide95-96-534 % similar Calcium ascorbate5743-27-133 % similar

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

Same formula

Glycidyl acrylate106-90-1 Ketopantolactone13031-04-4 2,2-Dimethylsuccinic anhydride17347-61-4 2,5-Bis(hydroxymethyl)furan1883-75-6 Adipic anhydride2035-75-8 Ethyl (2E)-4-oxo-2-butenoate2960-66-9 Furaneol3658-77-3 Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-4

Elsewhere

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