(2E)-5-[(1R,6S,7R)-3-(Hydroxymethyl)-7-Methylbicyclo[4.1.0]Hept-2-En-7-Yl]-2-Methyl-2-Penten-1-Ol

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Properties Simple | Detailed

Formula C15H24O2
IUPAC Name (e)-5-[(1r,6s,7r)-3-(hydroxymethyl)-7-methyl-7-bicyclo[4.1.0]hept-2-enyl]-2-methyl-pent-2-en-1-ol
Molecular Mass 236.350 g·mol−1
Heat of Formation -320.0 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 323.88 Å 3
Surface Area 289.44 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-methyl-5-[(1s,6r,7r)-7-methyl-4-methylol-7-bicyclo[4.1.0]hept-4-enyl]pent-2-en-1-ol
  • (e)-5-[(1s,6r,7r)-4-(hydroxymethyl)-7-methyl-7-bicyclo[4.1.0]hept-4-enyl]-2-methyl-pent-2-en-1-ol
  • (e)-5-[(1s,6r,7r)-4-(hydroxymethyl)-7-methyl-7-bicyclo[4.1.0]hept-4-enyl]-2-methylpent-2-en-1-ol
  • sirenin
CAS Number(s)
  • 19888-27-8
InChIKey BOEUJLMNWCJKHN-KSMMAEIZSA-N
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