(7-Formylcyclopenta[C]Pyran-4-Yl)Methyl 3-Methylbutanoate

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Properties Simple | Detailed

Formula C15H20O4
IUPAC Name (7-formyl-1,3-dihydrocyclopenta[c]pyran-1,3,4,7a-tetraid-4-yl)methyl 3-methylbutanoate
Molecular Mass 264.317 g·mol−1
Heat of Formation -462.9 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 317.37 Å 3
Surface Area 274.48 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • (7-formylcyclopenta[d]pyran-4-yl)methyl 3-methylbutanoate
  • (7-methanoylcyclopenta[d]pyran-4-yl)methyl 3-methylbutanoate
  • 3-methylbutanoic acid (7-formyl-4-cyclopenta[d]pyranyl)methyl ester
  • 3-methylbutyric acid (7-formylcyclopenta[d]pyran-4-yl)methyl ester
  • butanoic acid, 3-methyl-, (7-formylcyclopenta(c)pyran-4-yl)methyl ester
  • homobaldrinal
CAS Number(s)
  • 67910-07-0
InChIKey LTVSLKWNAZKBEX-UHFFFAOYSA-N
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