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

Molecule SVG Image

Properties Simple | Detailed

Formula C22H32O
IUPAC Name (2e)-2-[(4e)-4-[(e)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]cyclohept-2-en-1-ylidene]ethanol
Molecular Mass 312.489 g·mol−1
Heat of Formation -157.5 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 436.89 Å 3
Surface Area 356.87 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.08 ± 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]ethanol
  • (2e)-2-[(4e)-4-[(e)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]-1-cyclohept-2-enylidene]ethanol
  • 4-(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-(propenylidene)-2-cyclohepten-1-ylidene)ethanol
  • ethanol, 2-(4-(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenylidene)-2-cyclohepten-1-ylidene)-
  • mtcpce
CAS Number(s)
  • 90906-88-0
InChIKey RKLYJCXXRNLLBN-OSNZJWSISA-N
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