(2S,4R)-4-(2,2-Dihydroxyethyl)-2,3,3-Trimethylcyclopentanone

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Properties Simple | Detailed

Formula C10H18O3
IUPAC Name (2s,4r)-4-(2,2-dihydroxyethyl)-2,3,3-trimethyl-cyclopentanone
Molecular Mass 186.248 g·mol−1
Heat of Formation -715.0 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 246.33 Å 3
Surface Area 219.22 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 3.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-4-(2,2-dihydroxyethyl)-2,3,3-trimethyl-1-cyclopentanone
  • (2s,4r)-4-(2,2-dihydroxyethyl)-2,3,3-trimethyl-cyclopentan-1-one
  • (2s,4r)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentan-1-one
  • (2s,4s)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone
  • (2s,4s)-alpha-campholinic acid
  • cax
InChIKey KAXFPJKKGITBPU-RQJHMYQMSA-N
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