3-[(2-Isopropyl-5-Methylcyclohexyl)Oxy]-1,2-Propanediol

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Properties Simple | Detailed

Formula C13H26O3
IUPAC Name (2r)-3-[(1r,2s,5r)-2-isopropyl-5-methyl-cyclohexoxy]propane-1,2-diol
Molecular Mass 230.344 g·mol−1
Heat of Formation -752.1 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 318.42 Å 3
Surface Area 282.8 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey MDVYIGJINBYKOM-FVCCEPFGSA-N
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Elements H C O