9-[(2R,3S,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-2-Oxepanyl]-2,6-Dimethyl-2-Nonen-5-One

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Properties Simple | Detailed

Formula C20H34O4
IUPAC Name (6r)-9-[(2r,3s,6e)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-one
Molecular Mass 338.482 g·mol−1
Heat of Formation -864.8 ± 16.7 kJ·mol−1
Dipole Moment 4.24 ± 1.08 D
Volume 458.15 Å 3
Surface Area 359.46 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 0.84 ± eV
Point Group Symmetry C1
InChIKey XRDHAXIOHKTIGF-JUUNOLGESA-N
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Elements H C O