1-(1,3-Benzodioxol-5-Yl)-4,4-Dimethyl-3-Pentanol

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Properties Simple | Detailed

Formula C14H20O3
IUPAC Name (3r)-1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-pentan-3-ol
Molecular Mass 236.307 g·mol−1
Heat of Formation -515.2 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 304.65 Å 3
Surface Area 276.05 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
InChIKey QDFKSTRRJRMBFV-CYBMUJFWSA-N
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