(2E)-{(4E)-4-[(3E)-4-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-3-Buten-2-Ylidene]-2-Cyclohepten-1-Ylidene}Acetaldehyde

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Properties Simple | Detailed

Formula C22H30O
IUPAC Name (2e)-2-[(4e)-4-[(e)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]cyclohept-2-en-1-ylidene]acetaldehyde
Molecular Mass 310.473 g·mol−1
Heat of Formation -88.4 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 434.65 Å 3
Surface Area 359.1 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-[(4e)-4-[(e)-1-methyl-3-(2,6,6-trimethyl-1-cyclohexenyl)prop-2-enylidene]-1-cyclohept-2-enylidene]acetaldehyde
  • (2e)-2-[(4e)-4-[(e)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]-1-cyclohept-2-enylidene]acetaldehyde
  • (2e)-2-[(4e)-4-[(e)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]-1-cyclohept-2-enylidene]ethanal
  • (e,e,e)-(4-(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenylidene)-2-cyclohepten-1-ylidene)acetaldehyde
  • 4-(3-(2,6,6-trimethyl-1-methyl-1-cyclohexen-1-yl)-2-(propenylidene)-2-cyclohepten-1-ylidene)acetaldehyde
  • mtcpca
CAS Number(s)
  • 79270-63-6
InChIKey BUZXDCRSKZTALT-OSNZJWSISA-N
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