{(1R,4R,5R)-4-[2,6-Dimethoxy-4-(2-Methyl-2-Octanyl)Phenyl]-6,6-Dimethylbicyclo[3.1.1]Hept-2-En-2-Yl}Methanol

Molecule SVG Image

Properties Simple | Detailed

Formula C27H42O3
IUPAC Name [(1r,2r,5r)-2-[4-(1,1-dimethylheptyl)-2,6-dimethoxy-phenyl]-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol
Molecular Mass 414.621 g·mol−1
Heat of Formation -554.9 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 569.28 Å 3
Surface Area 454.22 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,5r)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol
  • [(1r,2r,5r)-2-[4-(1,1-dimethylheptyl)-2,6-dimethoxy-phenyl]-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol
  • [(1r,2r,5r)-2-[4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl]-7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol
InChIKey CFMRIVODIXTERW-BHIFYINESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O