D-Verbenone

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Properties Simple | Detailed

Formula C10H14O
IUPAC Name (1r,5r)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
Molecular Mass 150.218 g·mol−1
Heat of Formation -99.3 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 201.51 Å 3
Surface Area 187.41 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5r)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone
  • (1r,5r)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one
  • 4,6,6-trimethylbicyclo(3.1.1)hept-3-en-2-one
  • bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-
  • epa pesticide chemical code 128986
CAS Number(s)
  • 80-57-9
InChIKey DCSCXTJOXBUFGB-SFYZADRCSA-N
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DOI
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