chempirical

6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

C7H8O3CAS 67911-21-1140.14 g/mol

Open in Covalent MOL file
OOO
Acid anhydride

Properties

Molecular formula
C7H8O3
Molar mass
140.14 g/mol
Exact mass
140.0473 Da
Melting point
56 °C
Boiling point
143 °C (at 20 Torr)
logP
0.34Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
67911-21-1
SMILES
CC1(C)C2C(=O)OC(=O)C21
InChIKey
QKAHKEDLPBJLFD-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3

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Names and synonyms

3 names
  • 3-Oxabicyclo[3.1.0]hexane-2,4-dione, 6,6-dimethyl-
  • Caronic anhydride
  • cis-Caronic anhydride

Work with 6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lactic anhydride97-73-444 % similar Isobutyric anhydride97-72-343 % similar Tetrahydrocyclobuta[1,2-C:3,4-C′]difuran-1,3,4,6-tetrone4415-87-643 % similar Chlorendic anhydride115-27-539 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-838 % similar 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-036 % similar (+)-Diacetyl-L-tartaric anhydride6283-74-536 % similar (+)-Pantolactone5405-40-335 % similar

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

Same formula

Ethyl 2-furoate1335-40-6 5-Methoxyresorcinol2174-64-3 Methyl 5-methyl-2-furancarboxylate2527-96-0 3,5-Dihydroxybenzyl alcohol29654-55-5 Rel-(3ar,6as)-tetrahydro-1H-cyclopenta[C]furan-1,3(3ah)-dione35878-28-5 2-Acetyl-1,3-cyclopentanedione3859-39-0 3,4-Dihydroxybenzyl alcohol3897-89-0 Ethyl maltol4940-11-8

Elsewhere

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