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Properties Simple | Detailed

Formula C16H26O3
IUPAC Name methyl (4r)-4-[(1r)-1,5-dimethyl-3-oxo-hexyl]cyclohexene-1-carboxylate
Molecular Mass 266.376 g·mol−1
Heat of Formation -664.8 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 358.27 Å 3
Surface Area 325.8 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(1r)-1,5-dimethyl-3-oxohexyl]-1-cyclohexenecarboxylic acid methyl ester
  • (4r)-4-[(1r)-3-keto-1,5-dimethyl-hexyl]cyclohexene-1-carboxylic acid methyl ester
  • methyl (4r)-4-[(1r)-1,5-dimethyl-3-oxo-hexyl]cyclohexene-1-carboxylate
  • methyl (4r)-4-[(2r)-6-methyl-4-oxo-heptan-2-yl]cyclohexene-1-carboxylate
  • methyl (4r)-4-[(2r)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylate
CAS Number(s)
  • 17904-27-7
InChIKey IIWNDLDEVPJIBT-OLZOCXBDSA-N
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