(4R,5R)-4,5-Dihydroxy-2,6,6-Trimethyl-1-Cyclohexene-1-Carbaldehyde

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Properties Simple | Detailed

Formula C10H16O3
IUPAC Name (4r,5r)-4,5-dihydroxy-2,6,6-trimethyl-cyclohexene-1-carbaldehyde
Molecular Mass 184.232 g·mol−1
Heat of Formation -570.5 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 233.58 Å 3
Surface Area 205.49 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r)-4,5-dihydroxy-2,6,6-trimethyl-1-cyclohexenecarboxaldehyde
  • (4r,5r)-4,5-dihydroxy-2,6,6-trimethyl-cyclohexene-1-carbaldehyde
  • (4r,5r)-4,5-dihydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
  • 1-cyclohexene-1-carboxaldehyde, 4,5-dihydroxy-2,6,6-trimethyl-
  • 4,5-dihydroxy-2,6,6-trimethyl-cyclohex-1-enecarbaldehyde
  • 4,5-dihydroxy-2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
  • crocusatin-j
InChIKey YDOIHIWSLMXTHV-BDAKNGLRSA-N
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