(2R)-2-[4-(3-{4-[(2R)-2-Hydroxy-3,3-Dimethylbutoxy]-3-Methylphenyl}-3-Pentanyl)-2-Methylphenoxy]-1,4-Butanediol

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Properties Simple | Detailed

Formula C29H44O5
IUPAC Name (2r)-2-[4-[1-ethyl-1-[4-[(2r)-2-hydroxy-3,3-dimethyl-butoxy]-3-methyl-phenyl]propyl]-2-methyl-phenoxy]butane-1,4-diol
Molecular Mass 472.657 g·mol−1
Heat of Formation -1026.6 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 622.96 Å 3
Surface Area 505.89 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 3.16 ± eV
Point Group Symmetry C1
InChIKey DKNLNQKPISQAEP-SQHAQQRYSA-N
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Elements H C O