Neo-Crotocembranal

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Properties Simple | Detailed

Formula C20H30O
IUPAC Name (1e,5e,9e,11e)-12-isopropyl-5,9-dimethyl-cyclotetradeca-1,5,9,11-tetraene-1-carbaldehyde
Molecular Mass 286.452 g·mol−1
Heat of Formation -183.4 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 415.12 Å 3
Surface Area 320.29 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1e,5e,9e,11e)-12-isopropyl-5,9-dimethyl-1-cyclotetradeca-1,5,9,11-tetraenecarboxaldehyde
  • (1e,5e,9e,11e)-12-isopropyl-5,9-dimethyl-cyclotetradeca-1,5,9,11-tetraene-1-carbaldehyde
  • (1e,5e,9e,11e)-5,9-dimethyl-12-propan-2-yl-cyclotetradeca-1,5,9,11-tetraene-1-carbaldehyde
  • (1e,5e,9e,11e)-5,9-dimethyl-12-propan-2-ylcyclotetradeca-1,5,9,11-tetraene-1-carbaldehyde
InChIKey SQMACIRXDFOOLF-SKTYWBPTSA-N
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