(1S,5S)-3,3,5-Trimethylcyclohexyl Salicylate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H22O3
IUPAC Name [(1s,5s)-3,3,5-trimethylcyclohexyl] 2-hydroxybenzoate
Molecular Mass 262.344 g·mol−1
Heat of Formation -600.1 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 337.47 Å 3
Surface Area 301.05 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxybenzoic acid [(1s,5s)-3,3,5-trimethylcyclohexyl] ester
  • [(1s,5s)-3,3,5-trimethylcyclohexyl] 2-hydroxybenzoate
InChIKey WSSJONWNBBTCMG-NEPJUHHUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O