(6-Oxo-1-Cyclohexen-1-Yl)Methyl (2E)-2-Butenoate

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Properties Simple | Detailed

Formula C11H14O3
IUPAC Name (6-oxocyclohexen-1-yl)methyl (e)-but-2-enoate
Molecular Mass 194.227 g·mol−1
Heat of Formation -469.6 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 240.97 Å 3
Surface Area 238.74 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (6-oxo-1-cyclohexenyl)methyl (e)-but-2-enoate
  • (e)-but-2-enoic acid (6-keto-1-cyclohexenyl)methyl ester
  • (e)-but-2-enoic acid (6-oxo-1-cyclohexenyl)methyl ester
  • 2-butenoic acid, (6-oxo-1-cyclohexen-1-yl)methyl ester
  • 2-comc
  • 2-crotonyloxymethyl-2-cyclohexenone
  • 2-crotonyloxymethyl-cyclohex-2-enone
CAS Number(s)
  • 106281-45-2
InChIKey IQAJMALOOLNRLN-GORDUTHDSA-N
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