3,3-Dimethylpentanoyl (3R)-3-Methylhexanoate

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Properties Simple | Detailed

Formula C14H26O3
IUPAC Name 3,3-dimethylpentanoyl (3r)-3-methylhexanoate
Molecular Mass 242.354 g·mol−1
Heat of Formation -798.8 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 337.62 Å 3
Surface Area 306.94 Å 2
HOMO Energy -10.49 ± 0.55 eV
LUMO Energy 3.64 ± eV
Point Group Symmetry C1
InChIKey XBJBXDYDQBSLSM-LLVKDONJSA-N
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Elements H C O