(5S)-5-(2-Hydroxy-2-Propanyl)-2-Methyl-2-Cyclohexen-1-One

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Properties Simple | Detailed

Formula C10H16O2
IUPAC Name (5s)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-one
Molecular Mass 168.233 g·mol−1
Heat of Formation -435.5 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 224.46 Å 3
Surface Area 207.44 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-one
  • (5s)-5-(1-hydroxy-1-methylethyl)-2-methyl-1-cyclohex-2-enone
  • (5s)-5-(2-hydroxypropan-2-yl)-2-methyl-cyclohex-2-en-1-one
  • (5s)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one
  • (s)-()-5-(1-hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one
  • (s)-()-carvone hydrate
InChIKey DJOOMNLGIUGRKD-QMMMGPOBSA-N
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