Kalihinol F

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Properties Simple | Detailed

Formula C23H33N3O2
IUPAC Name (1r,2r,4as,5s,8s,8as)-1,5-diisocyano-8-[(1r)-1-(2-isocyano-2-methyl-propoxy)-1-methyl-propyl]-2,5-dimethyl-decalin-2-ol
Molecular Mass 383.527 g·mol−1
Heat of Formation -95.1 ± 16.7 kJ·mol−1
Dipole Moment 7.61 ± 1.08 D
Volume 512.47 Å 3
Surface Area 369.38 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,5s,8s,8as)-1,5-diisocyano-8-[(2r,5s)-5-(1-isocyano-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-2,5-dimethyl-decalin-2-ol
  • (1r,2r,4as,5s,8s,8as)-1,5-diisocyano-8-[(2r,5s)-5-(1-isocyano-1-methylethyl)-2-methyl-2-tetrahydrofuranyl]-2,5-dimethyl-2-decalinol
  • (1r,2r,4as,5s,8s,8as)-1,5-diisocyano-8-[(2r,5s)-5-(2-isocyanopropan-2-yl)-2-methyl-oxolan-2-yl]-2,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
  • (1r,2r,4as,5s,8s,8as)-1,5-diisocyano-8-[(2r,5s)-5-(2-isocyanopropan-2-yl)-2-methyloxolan-2-yl]-2,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-2-ol
InChIKey WUFZGMUGDGETGF-DKNXKHEBSA-N
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