(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 (4s,6s)-6-[2-(4-tert-butylphenyl)ethyl]-4-hydroxy-tetrahydropyran-2-one
Molecular Mass 276.371 g·mol−1
Heat of Formation -607.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 357.48 Å 3
Surface Area 321.26 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 3.44 ± eV
Point Group Symmetry C1
InChIKey CRVLDJMCJOJHBY-GJZGRUSLSA-N
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Elements H C O