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

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Properties Simple | Detailed

Formula C14H22O
IUPAC Name (e)-3-methyl-4-[(1s)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
Molecular Mass 206.324 g·mol−1
Heat of Formation -251.1 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 296.67 Å 3
Surface Area 252.58 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-methyl-4-[(1s)-2,6,6-trimethyl-1-cyclohex-2-enyl]but-3-en-2-one
  • 3-methyl-4-[(1s)-2,6,6-trimethyl-1-cyclohex-2-enyl]but-3-en-2-one
InChIKey JRJBVWJSTHECJK-YGNAEDSMSA-N
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Elements H C O