Cis-Sobrerol

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Properties Simple | Detailed

Formula C10H18O2
IUPAC Name (1s,5s)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-ol
Molecular Mass 170.249 g·mol−1
Heat of Formation -488.9 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 230.59 Å 3
Surface Area 211.55 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 4.12 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5s)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-cyclohex-2-en-1-ol
  • (1s,5s)-5-(1-hydroxy-1-methylethyl)-2-methyl-1-cyclohex-2-enol
  • (1s,5s)-5-(2-hydroxypropan-2-yl)-2-methyl-cyclohex-2-en-1-ol
  • (1s,5s)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
  • cis-5-hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
CAS Number(s)
  • 54164-89-5
InChIKey OMDMTHRBGUBUCO-IUCAKERBSA-N
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