Methyl (2E,4E,6E,8E,10E,12E)-2,7,11-Trimethyl-13-[(1S)-2,6,6-Trimethyl-4-Oxo-2-Cyclohexen-1-Yl]-2,4,6,8,10,12-Tridecahexaenoate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H34O3
IUPAC Name methyl (2e,4e,6e,8e,10e,12e)-2,7,11-trimethyl-13-[(1s)-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]trideca-2,4,6,8,10,12-hexaenoate
Molecular Mass 394.546 g·mol−1
Heat of Formation -355.2 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 524.33 Å 3
Surface Area 478.77 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e,10e,12e)-13-[(1s)-4-keto-2,6,6-trimethyl-1-cyclohex-2-enyl]-2,7,11-trimethyl-trideca-2,4,6,8,10,12-hexaenoic acid methyl ester
  • (2e,4e,6e,8e,10e,12e)-2,7,11-trimethyl-13-[(1s)-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]trideca-2,4,6,8,10,12-hexaenoic acid methyl ester
  • methyl (2e,4e,6e,8e,10e,12e)-2,7,11-trimethyl-13-[(1s)-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]trideca-2,4,6,8,10,12-hexaenoate
InChIKey NRLVZXUWVPUCFW-WFCITUQGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O