5-[(1R,2R)-2-Hydroxy-2,6,6-Trimethylcyclohexyl]-3-Methylene-2-Pentanone

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Properties Simple | Detailed

Formula C15H26O2
IUPAC Name 5-[(1r,2r)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]-3-methylene-pentan-2-one
Molecular Mass 238.366 g·mol−1
Heat of Formation -521.9 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 333.08 Å 3
Surface Area 274.05 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[(1r,2r)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]ethyl]but-3-en-2-one
  • 5-[(1r,2r)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]-3-methylene-pentan-2-one
  • 5-[(1r,2r)-2-hydroxy-2,6,6-trimethyl-cyclohexyl]-3-methylidene-pentan-2-one
  • 5-[(1r,2r)-2-hydroxy-2,6,6-trimethylcyclohexyl]-3-methylenepentan-2-one
  • 5-[(1r,2r)-2-hydroxy-2,6,6-trimethylcyclohexyl]-3-methylidenepentan-2-one
InChIKey URVNWRGNXHDYNR-UKRRQHHQSA-N
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