chempirical

Dihydro-4-methyl-2H-pyran-2,6(3H)-dione

C6H8O3CAS 4166-53-4128.13 g/mol

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OOO
Acid anhydride

Properties

Molecular formula
C6H8O3
Molar mass
128.13 g/mol
Exact mass
128.0473 Da
Melting point
46–47 °C
Boiling point
276–278 °C
logP
0.49Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
4166-53-4
SMILES
CC1CC(=O)OC(=O)C1
InChIKey
MGICRVTUCPFQQZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3

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Names and synonyms

6 names
  • 2H-Pyran-2,6(3H)-dione, dihydro-4-methyl-
  • Glutaric anhydride, 3-methyl-
  • β-Methylglutaric anhydride
  • 3-Methylglutaric anhydride
  • β-Methylglutaryl anhydride
  • 4-Methyltetrahydropyran-2,6-dione

Reactions

Work with Dihydro-4-methyl-2H-pyran-2,6(3H)-dione

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isovaleric anhydride1468-39-964 % similar β-Methyl-δ-valerolactone1121-84-254 % similar Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-254 % similar Methylsuccinic anhydride4100-80-550 % similar 3-Methylglutaric acid626-51-750 % similar 3,5,5-Trimethylhexanoyl peroxide3851-87-448 % similar Ethyl 3-methylpentanoate5870-68-848 % similar β-Butyrolactone3068-88-044 % 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 Sotolon28664-35-9 Ethyl (2E)-4-oxo-2-butenoate2960-66-9 Furaneol3658-77-3

Elsewhere

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