Methyl (2S)-2-{(3R,6R)-6-[6-(1-Hydroxy-2,2-Dimethyl-6-Methylenecyclohexyl)-4-Methylenehexyl]-6-Methyl-1,2-Dioxan-3-Yl}Propanoate

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Properties Simple | Detailed

Formula C25H42O5
IUPAC Name methyl (2s)-2-[(3r,6s)-6-[6-[(1s)-1-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]-4-methylene-hexyl]-6-methyl-dioxan-3-yl]propanoate
Molecular Mass 422.598 g·mol−1
Heat of Formation -869.8 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 564.69 Å 3
Surface Area 446.15 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
InChIKey XFDMAFNMQSQGGI-PEARBKPGSA-N
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Elements H C O