12-(2-Hydroxy-2-Propanyl)-9-Methyl-4-(3-Methyl-2-Buten-1-Yl)-3,6-Dioxo-8-Oxatricyclo[7.3.1.0~2,7~]Trideca-2(7),4-Dien-5-Yl 2-Methylpropanoate

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Properties Simple | Detailed

Formula C25H34O6
IUPAC Name 12-(2-hydroxy-2-propanyl)-9-methyl-4-(3-methyl-2-buten-1-yl)-3,6-dioxo-8-oxatricyclo[7.3.1.0 2,7 ]trideca-2(7),4-dien-5-yl 2-methylpropanoate
Molecular Mass 430.534 g·mol−1
Heat of Formation -1093.7 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 535.33 Å 3
Surface Area 421.87 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey JTTNQUCEWDQPMF-RYUVBPIJSA-N
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