chempirical

6-Amyl-α-pyrone

C10H14O2CAS 27593-23-3166.22 g/mol

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Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Boiling point
92 °C (at 0.5 Torr)
logP
2.37Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
27593-23-3
SMILES
CCCCCc1cccc(=O)o1
InChIKey
MAUFTTLGOUBZNA-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3

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Names and synonyms

8 names
  • 2H-Pyran-2-one, 6-pentyl-
  • 6-Pentyl-2H-pyran-2-one
  • 6-Pentyl-α-pyrone
  • 6-n-Pentyl-α-pyrone
  • 6-Pentyl-2-pyrone
  • 6-(1-Pentyl)-2H-pyran-2-one
  • 6-n-Pentyl-2H-pyran-2-one
  • 6-Pentylpyran-2-one

Work with 6-Amyl-α-pyrone

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-Pentylfuran3777-69-353 % similar 2-Heptylfuran3777-71-751 % similar 2-Butylfuran4466-24-446 % similar Decylbenzene104-72-342 % similar Hexylbenzene1077-16-342 % similar Heptylbenzene1078-71-342 % similar n-Nonylbenzene1081-77-242 % similar Dodecylbenzene123-01-342 % similar

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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3A(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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