Astacin

Molecule SVG Image

Properties Simple | Detailed

Formula C29H22O4
IUPAC Name 5-ethynyl-3-methylene-4-[(2-methylenecyclopropylidene)methylene]cyclohexane-1,2-dione; 3-methyl-5,6-dimethylene-4-[2-(2-methylenecyclopropyl)ethynyl]cyclohex-3-ene-1,2-dione
Molecular Mass 434.483 g·mol−1
Heat of Formation -275.7 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 807.15 Å 3
Surface Area 679.45 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3,4-dioxo-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-dione
  • 4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-(3,4-diketo-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-ene-1,2-quinone
InChIKey RASZIXQTZOARSV-QISQUURKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O