Oppositol

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Properties Simple | Detailed

Formula C15H25BrO
IUPAC Name (3s,3as,4r,7s,7as)-7-bromo-4,7a-dimethyl-3-(2-methylprop-1-enyl)-2,3,3a,5,6,7-hexahydro-1h-inden-4-ol
Molecular Mass 301.262 g·mol−1
Heat of Formation -354.1 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 340.91 Å 3
Surface Area 279.66 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,4r,7s,7as)-7-bromo-4,7a-dimethyl-3-(2-methylprop-1-enyl)-2,3,3a,5,6,7-hexahydro-1h-inden-4-ol
  • 1h-inden-4-ol, 7-bromooctahydro-4,7a-dimethyl-3-(2-methyl-1-propenyl)-, (3s-(3alpha,3aalpha,4beta,7beta,7abeta))-
CAS Number(s)
  • 50906-52-0
InChIKey NEJWBGSUEYGAGE-BTFPBAQTSA-N
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Elements H C O Br