6-tert-Butyl-4-hydroxy-2H-pyran-2-one

C₉H₁₂O₃CAS 857248-84-1168.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂O₃
Molar mass: 168.19 g/mol
Exact mass: 168.0786 Da
logP: 1.64Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 1 / 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

857248-84-1

SMILES

CC(C)(C)C1=CC(=CC(=O)O1)O

InChIKey

VJYOVPGKVUBPFS-UHFFFAOYSA-N

InChI

InChI=1S/C9H12O3/c1-9(2,3)7-4-6(10)5-8(11)12-7/h4-5,10H,1-3H3

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Names and synonyms

1 names

6-tert-Butyl-4-hydroxy-pyran-2-one

Work with 6-tert-Butyl-4-hydroxy-2H-pyran-2-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

Triacetic acid lactone675-10-553 % similar 3,5-Di-tert-butylphenol1138-52-942 % similar 5,7-Dihydroxy-4-methylcoumarin2107-76-839 % similar 6-Hydroxy-4-methylcoumarin2373-31-137 % similar 5-(tert-Butyl)-2-methyl-3-furoic acid38422-62-737 % similar 4-Methylumbelliferone90-33-537 % similar 5,7-Dihydroxycoumarin2732-18-535 % similar Umbelliferone93-35-634 % similar

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

Same formula

Ethyl 2-furanpropanoate10031-90-0 1,2,4-Trimethoxybenzene135-77-3 Rikacid MH19438-60-9 Homovanillyl alcohol2380-78-1 Methylhexahydrophthalic anhydride25550-51-0 2,5-Dimethoxybenzyl alcohol33524-31-1 1,3,5-Benzenetrimethanol4464-18-0 3-Phenoxy-1,2-propanediol538-43-2

Elsewhere

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