(1S,4S,5S)-1-Isopropyl-4-Methylbicyclo[3.1.0]Hexan-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H16O
IUPAC Name (1s,2s,5s)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
Molecular Mass 152.233 g·mol−1
Heat of Formation 38.8 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 210.37 Å 3
Surface Area 195.23 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 3.83 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-isothujone
  • (1s,4s,5s)-1-isopropyl-4-methyl-3-bicyclo[3.1.0]hexanone
  • (1s,4s,5s)-1-isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one
  • (1s,4s,5s)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one
  • (1s,4s,5s)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
  • .beta.-thujone
  • bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1s-(1.alpha.,4.beta.,5.alpha.)]-
  • cis-thujone
  • d-.beta.-thujone
  • d-isothujone
  • isothujone
  • thujone, (+)-
CAS Number(s)
  • 471-15-8
InChIKey USMNOWBWPHYOEA-NRPADANISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O