(3E)-4-[(1R,6S)-2,2,6-Trimethyl-7-Oxabicyclo[4.1.0]Hept-1-Yl]-3-Buten-2-One

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Properties Simple | Detailed

Formula C13H20O2
IUPAC Name (e)-4-[(1s,6r)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one
Molecular Mass 208.297 g·mol−1
Heat of Formation -324.9 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 279.43 Å 3
Surface Area 246.77 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
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InChIKey ZTJZJYUGOJYHCU-YSDIBMRGSA-N
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