(3E)-4-[(1S)-2,6,6-Trimethyl-2-Cyclohexen-1-Yl]-3-Buten-2-One

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Properties Simple | Detailed

Formula C13H20O
IUPAC Name (e)-4-[(1s)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
Molecular Mass 192.297 g·mol−1
Heat of Formation -222.0 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 273.27 Å 3
Surface Area 244.58 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
  • (e)-4-[(1s)-2,6,6-trimethyl-1-cyclohex-2-enyl]but-3-en-2-one
  • (r-(e))-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
CAS Number(s)
  • 24190-29-2
InChIKey UZFLPKAIBPNNCA-ABZNLYFFSA-N
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