Phomenone

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Properties Simple | Detailed

Formula C15H20O4
IUPAC Name (1ar,6r,7r,7ar,7br)-6-hydroxy-1a-[1-(hydroxymethyl)vinyl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4h-naphtho[1,2-b]oxiren-2-one
Molecular Mass 264.317 g·mol−1
Heat of Formation -556.5 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 320.91 Å 3
Surface Area 266.07 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • megxm0_000426
  • naphth(1,2-b)oxiren-2(1ah)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethyl-, (1ar-(1aalpha,6beta,7alpha,7aalpha,7balpha))-
CAS Number(s)
  • 55785-58-5
InChIKey WKZMDQXEUJZALS-OANMRLRGSA-N
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