Espatulenol

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Properties Simple | Detailed

Formula C15H24O
IUPAC Name (1ar,4ar,7s,7ar,7br)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
Molecular Mass 220.350 g·mol−1
Heat of Formation -227.2 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 305.23 Å 3
Surface Area 253.31 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-cycloprop(e)azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1ar-(1aalpha,4aalpha,7beta,7abeta,7balpha))-
CAS Number(s)
  • 6750-60-3
InChIKey FRMCCTDTYSRUBE-BGPZULBFSA-N
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Elements H C O