Hexestrol Diacetate

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Properties Simple | Detailed

Formula C22H26O4
IUPAC Name [4-[(1s,2r)-2-(4-acetoxyphenyl)-1-ethyl-butyl]phenyl] acetate
Molecular Mass 354.439 g·mol−1
Heat of Formation -674.2 ± 16.7 kJ·mol−1
Dipole Moment 0.03 ± 1.08 D
Volume 454.9 Å 3
Surface Area 390.79 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(1s,2r)-2-(4-acetoxyphenyl)-1-ethyl-butyl]phenyl] acetate
  • [4-[(3s,4r)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] acetate
  • [4-[(3s,4r)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] ethanoate
  • acetic acid [4-[(1s,2r)-2-(4-acetoxyphenyl)-1-ethyl-butyl]phenyl] ester
  • acetic acid [4-[(1s,2r)-2-(4-acetoxyphenyl)-1-ethylbutyl]phenyl] ester
  • d02018
  • hexestrol diacetate (jan)
CAS Number(s)
  • 4547-76-6
InChIKey GWEREDCWIUZACS-SZPZYZBQSA-N
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