chempirical

2,2,5,5-Tetramethyltetrahydro-3-ketofuran

C8H14O2CAS 5455-94-7142.20 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
logP
1.53Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
5455-94-7
SMILES
CC1(CC(=O)C(O1)(C)C)C
InChIKey
HWFLEGUPVIFSJN-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-7(2)5-6(9)8(3,4)10-7/h5H2,1-4H3

Weigh it out

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Names and synonyms

14 names · show all
  • 2,2,5,5-Tetramethyloxolan-3-one
  • Dihydro-2,2,5,5-tetramethyl-3(2H)-furanone
  • 3(2H)-Furanone,dihydro-2,2,5,5-tetramethyl-
  • 2,2,5,5-Tetramethyldihydrofuran-3(2H)-one
  • 2,2,5,5-Tetramethyltetrahydrofuran-3-one
  • 3(2H)-Furanone, dihydro-2,2,5,5-tetramethyl-
  • 2,2,5,5-Tetramethyl-tetrahydro-furan-3-one
  • 2,2,5,5-Tetramethyldihydro-3(2H)-furanone
  • 2,2,5,5-Tetramethyldihydrofuran-3-one
  • 2,2,5,5-Tetramethyl-dihydro-furan-3-one
  • Dihydro-2,2,5,5-tetramethyl-3(2H)furanone
  • 2,2,5,5-Tetramethy
  • Dihydro-2,2,5,5-tetramethylfuran-3-one
  • Dihydro-2,2,5,5-tetramethylfuran-3(2H)-one

Reactions

Work with 2,2,5,5-Tetramethyltetrahydro-3-ketofuran

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

2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-650 % similar 2,2-Dimethylcyclohexane-1,3-dione562-13-036 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-435 % similar 4-Methoxy-4-methyl-2-pentanone107-70-034 % similar 2,2-Dimethyltetrahydropyran-4-one1194-16-734 % similar 2,2,5,5-Tetramethyltetrahydrofuran15045-43-932 % similar 1-Chloropinacolone13547-70-131 % similar Bromopinacolone5469-26-131 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 1-Acetylcyclohexanol1123-27-9 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 tert-Butyl 3-butenoate14036-55-6 Cypionic acid140-77-2 2,5-Dimethyl-3-hexyne-2,5-diol142-30-3 Cycloheptanecarboxylic acid1460-16-8

Elsewhere

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