(2E)-3-[(4S,7R,7Ar)-3,7-Dimethyl-2,4,5,6,7,7A-Hexahydro-1H-Inden-4-Yl]-2-Methylacrylaldehyde

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Properties Simple | Detailed

Formula C15H22O
IUPAC Name (e)-3-[(4s,7r,7ar)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methyl-prop-2-enal
Molecular Mass 218.335 g·mol−1
Heat of Formation -191.4 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 300.08 Å 3
Surface Area 259.33 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(4s,7r,7ar)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methyl-acrolein
  • (e)-3-[(4s,7r,7ar)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methyl-prop-2-enal
  • (e)-3-[(4s,7r,7ar)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl]-2-methylprop-2-enal
  • 2-propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1h-inden-4-yl)-2-methyl-, (4s-(4alpha(e),7beta,7aalpha))-
  • valerenal
CAS Number(s)
  • 4176-16-3
InChIKey RJZWGDPBGWGJNU-MTXIQXFFSA-N
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