Acetyldeschloroelatol

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Properties Simple | Detailed

Formula C17H25BrO2
IUPAC Name [(3s,4r,6r)-4-bromo-5,5,9-trimethyl-1-methylene-spiro[5.5]undec-9-en-3-yl] acetate
Molecular Mass 341.283 g·mol−1
Heat of Formation -433.3 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 375.42 Å 3
Surface Area 296.59 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,6r)-2-bromo-1,1,9-trimethyl-5-methylene-spiro[5.5]undec-9-en-3-yl] acetate
  • [(2r,3s,6r)-2-bromo-1,1,9-trimethyl-5-methylidene-spiro[5.5]undec-9-en-3-yl] ethanoate
  • [(2r,3s,6r)-2-bromo-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-9-en-3-yl] acetate
  • acetic acid [(2r,3s,6r)-2-bromo-1,1,9-trimethyl-5-methylene-3-spiro[5.5]undec-9-enyl] ester
  • acetic acid [(2r,3s,6r)-2-bromo-1,1,9-trimethyl-5-methylene-spiro[5.5]undec-9-en-3-yl] ester
InChIKey NQXXGYWRUKNVOU-ZOBUZTSGSA-N
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Elements H C O Br