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

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Properties Simple | Detailed

Formula C15H22O3
IUPAC Name 1-[(2r,5s)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]-4-methyl-pentan-2-one
Molecular Mass 250.333 g·mol−1
Heat of Formation -537.0 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 327.59 Å 3
Surface Area 265.42 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-2-pentanone, (2r,5s)-(-)
  • 1-[(2r,5s)-5-(3-furyl)-2-methyl-2-tetrahydrofuranyl]-4-methylpentan-2-one
  • 1-[(2r,5s)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]-4-methyl-pentan-2-one
  • 1-[(2r,5s)-5-furan-3-yl-2-methyl-oxolan-2-yl]-4-methyl-pentan-2-one
  • 1-[(2r,5s)-5-furan-3-yl-2-methyloxolan-2-yl]-4-methylpentan-2-one
  • 2-pentanone, 1-(5-(3-furyl)-2-methyl-tetrahydro-2-furyl)-4-methyl-, (2r,5s)-(-)-
  • 2-pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl-(2,3'-bifuran)-5-yl)-, (2s-cis)- (9ci)
CAS Number(s)
  • 12770-41-1
  • 50884-35-0
  • 581-12-4
InChIKey WOFDWNOSFDVCDF-LSDHHAIUSA-N
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