3,7-Dimethyl-1,6-Octadien-3-Yl Benzoate

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Properties Simple | Detailed

Formula C17H22O2
IUPAC Name [(1r)-1,5-dimethyl-1-vinyl-hex-4-enyl] benzoate
Molecular Mass 258.355 g·mol−1
Heat of Formation -279.9 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 347.19 Å 3
Surface Area 308.84 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
InChIKey BTJXBZZBBNNTOV-KRWDZBQOSA-N
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Elements H C O