(4R,6R)-4-Hydroxy-4,6-Dimethyl-6-[(10E)-12-Phenyl-10-Dodecen-1-Yl]Tetrahydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C25H38O3
IUPAC Name (4r,6r)-4-hydroxy-4,6-dimethyl-6-[(e)-12-phenyldodec-10-enyl]tetrahydropyran-2-one
Molecular Mass 386.567 g·mol−1
Heat of Formation -711.6 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 534.59 Å 3
Surface Area 414.44 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6r)-4-hydroxy-4,6-dimethyl-6-[(e)-12-phenyldodec-10-enyl]-2-tetrahydropyranone
  • (4r,6r)-4-hydroxy-4,6-dimethyl-6-[(e)-12-phenyldodec-10-enyl]oxan-2-one
  • (4r,6r)-4-hydroxy-4,6-dimethyl-6-[(e)-12-phenyldodec-10-enyl]tetrahydropyran-2-one
InChIKey MPMOMJZPGJTYMV-CPBUKKLUSA-N
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