(4R,6R)-4-Hydroxy-6-{2-[4-(2-Methyl-2-Propanyl)Phenyl]Ethyl}Tetrahydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C17H24O3
IUPAC Name (4r,6r)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 276.371 g·mol−1
Heat of Formation -601.0 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 357.02 Å 3
Surface Area 319.71 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6r)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxy-2-tetrahydropyranone
  • (4r,6r)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxy-oxan-2-one
  • (4r,6r)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxy-tetrahydropyran-2-one
  • (4r,6r)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxyoxan-2-one
  • 2h-pyran-2-one, 6-(2-(4-(1,1-dimethylethyl)phenyl)ethyl)tetrahydro-4-hydroxy-, trans-
  • 6-(2-(4-(1,1-dimethylethyl)phenyl)ethyl)tetrahydro-4-hydroxy-2h-pyran-2-one
  • sc 33459
  • sc-33459
CAS Number(s)
  • 81329-72-8
InChIKey CRVLDJMCJOJHBY-HUUCEWRRSA-N
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