(1S,2R,3Ar,8As)-1-Isopropyl-3A,6-Dimethyl-1,2,3,3A,4,7,8,8A-Octahydro-1,2-Azulenediol

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Properties Simple | Detailed

Formula C15H26O2
IUPAC Name (1s,2r,3ar,8as)-1-isopropyl-3a,6-dimethyl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
Molecular Mass 238.366 g·mol−1
Heat of Formation -545.2 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 319.97 Å 3
Surface Area 262.18 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3ar,8as)-1-isopropyl-3a,6-dimethyl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
  • (1s,2r,3ar,8as)-3a,6-dimethyl-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulene-1,2-diol
  • 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethyl)-1,2-azulenediol (1alpha,2alpha,3aalpha,8abeta)-(-)-
  • 1,2-azulenediol, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethyl)-, (1alpha,2alpha,3aalpha,8abeta)-(-)-
  • caf 603
  • caf-603
CAS Number(s)
  • 105772-90-5
InChIKey WBVHJGBFCZGJRZ-YJNKXOJESA-N
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