(3S)-3,7-Dimethyl-6-Octen-1-Yl Acetate

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Properties Simple | Detailed

Formula C12H22O2
IUPAC Name [(3s)-3,7-dimethyloct-6-enyl] acetate
Molecular Mass 198.302 g·mol−1
Heat of Formation -524.0 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 283.31 Å 3
Surface Area 270.81 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 4.20 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s)-3,7-dimethyloct-6-enyl] acetate
  • [(3s)-3,7-dimethyloct-6-enyl] ethanoate
  • acetic acid [(3s)-3,7-dimethyloct-6-enyl] ester
InChIKey JOZKFWLRHCDGJA-NSHDSACASA-N
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Elements H C O