Haterumadioxin A

Molecule SVG Image

Properties Simple | Detailed

Formula C18H30O4
IUPAC Name 2-[(3s,6r)-4,6-diethyl-6-[(e,2r)-2-ethylhex-3-enyl]-3h-1,2-dioxin-3-yl]acetic acid
Molecular Mass 310.428 g·mol−1
Heat of Formation -647.2 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 419.91 Å 3
Surface Area 333.4 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3s,6r)-4,6-diethyl-6-[(e,2r)-2-ethylhex-3-enyl]-3h-1,2-dioxin-3-yl]ethanoic acid
  • 2-[(3s,6r)-4,6-diethyl-6-[(e,2r)-2-ethylhex-3-enyl]-3h-dioxin-3-yl]acetic acid
InChIKey ZQUICPBUMISQIC-MCRIOUDWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O