(1R,5R,9S)-9-(2-Hydroxy-2-Propanyl)-2,6-Bis(Methylene)-1,5-Cyclodecanediol

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Properties Simple | Detailed

Formula C15H26O3
IUPAC Name (1r,5r,9s)-9-(1-hydroxy-1-methyl-ethyl)-2,6-dimethylene-cyclodecane-1,5-diol
Molecular Mass 254.365 g·mol−1
Heat of Formation -641.5 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 343.53 Å 3
Surface Area 268.5 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5r,9s)-9-(1-hydroxy-1-methyl-ethyl)-2,6-dimethylene-cyclodecane-1,5-diol
  • (1r,5r,9s)-9-(1-hydroxy-1-methylethyl)-2,6-dimethylenecyclodecane-1,5-diol
  • (1r,5r,9s)-9-(2-hydroxypropan-2-yl)-2,6-dimethylidene-cyclodecane-1,5-diol
  • (1r,5r,9s)-9-(2-hydroxypropan-2-yl)-2,6-dimethylidenecyclodecane-1,5-diol
  • 1,5-cyclodecanediol, 9-(1-hydroxy-1-methylethyl)-2,6-bis(methylene)-, (1r*,5r*,9s*)-(-)-
CAS Number(s)
  • 143086-40-2
InChIKey ZJQHXIIOVKOVID-BFHYXJOUSA-N
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