chempirical

5-Hydroxy-4-methyl-2(5H)-furanone

C5H6O3CAS 40834-42-2114.10 g/mol

Open in Covalent MOL file
OOHO
AlcoholAlkeneEsterLactone

Properties

Molecular formula
C5H6O3
Molar mass
114.10 g/mol
Exact mass
114.0317 Da
Boiling point
113 °C (at 0.05 Torr)
logP
-0.19Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
40834-42-2
SMILES
CC1=CC(=O)OC1O
InChIKey
XRNPHZPFAWLRNJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2(5H)-Furanone, 5-hydroxy-4-methyl-
  • 4-Hydroxy-3-methylbut-2-en-4-olide
  • 4-Methyl-5-hydroxy-2(5H)-furanone
  • 5-Hydroxy-4-methyl-5H-furan-2-one
  • γ-Hydroxy-β-methylbutenolide
  • 2-Hydroxy-3-methyl-2H-furan-5-one

Work with 5-Hydroxy-4-methyl-2(5H)-furanone

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-Hydroxy-4-propyl-2(5H)-furanone78920-10-250 % similar Isopropyl β-aminocrotonate14205-46-037 % similar Patulin149-29-133 % similar 2,5-Dimethyl-3(2H)furanone14400-67-032 % similar Ethyl 3,3-dimethylacrylate638-10-832 % similar 2-Hydroxypropyl acrylate999-61-132 % similar 1,4-Dipropyl (2Z)-2-butenedioate2432-63-530 % similar 4-Hydroxy-2(5H)-furanone541-57-130 % similar

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

Same formula

Glutaric anhydride108-55-4 4-Hydroxy-5-methyl-3(2H)-furanone19322-27-1 Methyl 4-hydroxybut-2-ynoate31555-05-2 Methylsuccinic anhydride4100-80-5 Vinylethylene carbonate4427-96-7

Elsewhere

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