(2E,6E)-9-[(2R,3S)-3-Ethyl-3-Methyl-2-Oxiranyl]-3,7-Dimethyl-2,6-Nonadienoic Acid

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Properties Simple | Detailed

Formula C16H26O3
IUPAC Name (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoic acid
Molecular Mass 266.376 g·mol−1
Heat of Formation -591.1 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 364.22 Å 3
Surface Area 295.61 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,6e)-(10r,11s)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
  • (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyl-2-oxiranyl]-3,7-dimethylnona-2,6-dienoic acid
  • (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyl-oxiran-2-yl]-3,7-dimethyl-nona-2,6-dienoic acid
  • (2e,6e)-9-[(2r,3s)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid
  • (2e,6e,10r,11s)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid
InChIKey CZRJNVJQSPMQTQ-XKLQKUTNSA-N
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