1-[(2S,5R)-5-Methyl-2,3,4,5-Tetrahydro-2,3'-Bifuran-5-Yl]Acetone

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Properties Simple | Detailed

Formula C12H16O3
IUPAC Name 1-[(2r,5s)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]propan-2-one
Molecular Mass 208.254 g·mol−1
Heat of Formation -463.4 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 261.76 Å 3
Surface Area 230.74 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,5s)-5-(3-furyl)-2-methyl-2-tetrahydrofuranyl]propan-2-one
  • 1-[(2r,5s)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]acetone
  • 1-[(2r,5s)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]propan-2-one
  • 1-[(2r,5s)-5-furan-3-yl-2-methyl-oxolan-2-yl]propan-2-one
  • 1-[(2r,5s)-5-furan-3-yl-2-methyloxolan-2-yl]propan-2-one
  • 2-propanone, 1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-, (2s-cis)-
  • deisopropylngaione
CAS Number(s)
  • 41059-85-2
InChIKey YKWSUSNJLLZKDK-NWDGAFQWSA-N
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