(3R,4S)-3-Hydroxy-4-Isopropyl-1-Cyclohexene-1-Carbaldehyde

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Properties Simple | Detailed

Formula C10H16O2
IUPAC Name (3r,4s)-3-hydroxy-4-isopropyl-cyclohexene-1-carbaldehyde
Molecular Mass 168.233 g·mol−1
Heat of Formation -377.7 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 223.84 Å 3
Surface Area 207.58 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s)-3-hydroxy-4-isopropyl-1-cyclohexenecarboxaldehyde
  • (3r,4s)-3-hydroxy-4-isopropyl-cyclohexene-1-carbaldehyde
  • (3r,4s)-3-hydroxy-4-propan-2-yl-cyclohexene-1-carbaldehyde
  • (3r,4s)-3-hydroxy-4-propan-2-ylcyclohexene-1-carbaldehyde
  • 1-cyclohexene-1-carboxaldehyde, 3-hydroxy-4-(1-methylethyl)-, cis-
  • 1-cyclohexene-1-carboxaldehyde, 3-hydroxy-4-(1-methylethyl)-, cis-( -)-
  • eucamalol
CAS Number(s)
  • 152246-70-3
InChIKey ZPACRXLIAKZISA-UWVGGRQHSA-N
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