(1S,5S,6S)-5-(Hydroxymethyl)-1-Methoxy-6-[(2R,3R)-2-Methyl-3-(3-Methyl-2-Buten-1-Yl)-2-Oxiranyl]Bicyclo[3.1.0]Hexan-2-One

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Properties Simple | Detailed

Formula C16H24O4
IUPAC Name (1s,5s,6s)-1-(hydroxymethyl)-5-methoxy-6-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]bicyclo[3.1.0]hexan-4-one
Molecular Mass 280.359 g·mol−1
Heat of Formation -530.1 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 356.94 Å 3
Surface Area 298.02 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5s,6s)-1-(hydroxymethyl)-5-methoxy-6-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-4-bicyclo[3.1.0]hexanone
  • (1s,5s,6s)-1-(hydroxymethyl)-5-methoxy-6-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]bicyclo[3.1.0]hexan-4-one
  • (1s,5s,6s)-5-methoxy-6-[(2r,3r)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-methylol-bicyclo[3.1.0]hexan-4-one
InChIKey CANZHCRPLGNWCR-LJIZCISZSA-N
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