4-(2,4-Dihydroxy-2,6,6-Trimethylcyclohexylidene)-3-Buten-2-One

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Properties Simple | Detailed

Formula C13H20O3
IUPAC Name 4-[(2r,4s)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]but-3-en-2-one
Molecular Mass 224.296 g·mol−1
Heat of Formation -540.4 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 297.91 Å 3
Surface Area 256.64 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2r,4s)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]but-3-en-2-one
  • 4-[(2r,4s)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one
InChIKey QMXLZUOHZGYGDY-JBGXHEPSSA-N
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Elements H C O