(2S)-3-[4-(2-{4-[(2R)-2-Hydroxy-3,3-Dimethylbutoxy]-3-Methylphenyl}-2-Propanyl)-2-Methylphenoxy]-1,2-Propanediol

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Properties Simple | Detailed

Formula C26H38O5
IUPAC Name (2s)-3-[4-[1-[4-[(2r)-2-hydroxy-3,3-dimethyl-butoxy]-3-methyl-phenyl]-1-methyl-ethyl]-2-methyl-phenoxy]propane-1,2-diol
Molecular Mass 430.577 g·mol−1
Heat of Formation -961.3 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 563.37 Å 3
Surface Area 477.25 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
InChIKey QOQDEYISGNGHKZ-URXFXBBRSA-N
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Elements H C O