3,3-Dimethylbutanoyl (3S)-3-Methylhexanoate

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Properties Simple | Detailed

Formula C13H24O3
IUPAC Name 3,3-dimethylbutanoyl (3s)-3-methylhexanoate
Molecular Mass 228.328 g·mol−1
Heat of Formation -785.3 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 317.45 Å 3
Surface Area 292.46 Å 2
HOMO Energy -10.49 ± 0.55 eV
LUMO Energy 3.66 ± eV
Point Group Symmetry C1
InChIKey GVOVZTBZXKIOCI-JTQLQIEISA-N
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Elements H C O