2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one

C₉H₁₆O₂CAS 1197-66-6156.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆O₂
Molar mass: 156.22 g/mol
Exact mass: 156.1150 Da
logP: 1.92Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1197-66-6

SMILES

CC1(CC(=O)CC(O1)(C)C)C

InChIKey

NOGFHTGYPKWWRX-UHFFFAOYSA-N

InChI

InChI=1S/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3

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Names and synonyms

1 names

2,2,6,6-Tetramethyloxan-4-one

Work with 2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one

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-Dimethyltetrahydropyran-4-one1194-16-754 % similar cis-Tetrahydro-3A,6A-dimethyl-2,5(1H,3H)-pentalenedione21170-10-550 % similar 3,3,5,5-Tetramethylcyclohexanone14376-79-546 % similar Triacetonamine826-36-844 % similar 2,2,5,5-Tetramethyltetrahydrofuran15045-43-943 % similar Tempone2896-70-041 % similar 2,2,6,6-Tetramethyl-4-piperidone hydrochloride33973-59-039 % similar 4-Methoxy-4-methyl-2-pentanone107-70-038 % similar

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

Same formula

Gamma-nonalactone104-61-0 Allyl hexanoate123-68-2 Olean180-84-7 2,6-Dimethyl-3,5-heptanedione18362-64-6 Hexyl acrylate2499-95-8 4-Hydroxynonenal29343-52-0 Ethyl cyclohexanecarboxylate3289-28-9 Delta-nonalactone3301-94-8

Elsewhere

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