Itomanol

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Properties Simple | Detailed

Formula C15H25BrO
IUPAC Name (1s,2r,4ar,5r,8as)-5-bromo-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-1-ol
Molecular Mass 301.262 g·mol−1
Heat of Formation -336.4 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 334.06 Å 3
Surface Area 274.71 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4ar,5r,8as)-5-bromo-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-1-ol
  • (1s,2r,4ar,5r,8as)-5-bromo-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-1-ol
  • 1-naphthalenol, 5-bromo-1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethyl)-, (1s,2r,4ar,5r,8as)-
  • 5-bromo-2-isopropyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-ol
  • rel-(1r,2s,4as,5s,8ar)-5-bromo-2-isopropyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-ol
InChIKey POKIILKOWQTYGN-ZSAUSMIDSA-N
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Elements H C O Br