4-[(1S,2R,5S)-4,4,8-Trimethyl-3-Oxabicyclo[3.3.1]Non-7-En-2-Yl]Phenol

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Properties Simple | Detailed

Formula C17H22O2
IUPAC Name 4-[(1s,4r,5s)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl]phenol
Molecular Mass 258.355 g·mol−1
Heat of Formation -337.2 ± 16.7 kJ·mol−1
Dipole Moment 0.75 ± 1.08 D
Volume 329.08 Å 3
Surface Area 275.46 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1s,5s,6r)-4,8,8-trimethyl-7-oxabicyclo[3.3.1]non-3-en-6-yl]phenol
InChIKey BBZPJHFECDCNGT-BPUTZDHNSA-N
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Elements H C O