(1R,5S)-6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione

C₇H₈O₃CAS 67911-21-1140.14 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

4 names

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

Work with (1R,5S)-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

(1R,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione194421-56-244 % similar 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 Methylnadic anhydride25134-21-840 % similar Chlorendic anhydride115-27-539 % similar Difluoroacetic anhydride401-67-238 % similar 3-Oxabicyclo[3.2.0]heptane-2,4-dione4462-96-838 % 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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