(2S,3S,5Z,8S)-3-Chloro-2-[(2E)-2-Penten-4-Yn-1-Yl]-8-[(1E)-1-Propen-1-Yl]-3,4,7,8-Tetrahydro-2H-Oxocine

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Properties Simple | Detailed

Formula C15H19ClO
IUPAC Name (2s,3s,5z,8s)-3-chloro-2-[(e)-pent-2-en-4-ynyl]-8-[(e)-prop-1-enyl]-3,4,7,8-tetrahydro-2h-oxocine
Molecular Mass 250.764 g·mol−1
Heat of Formation 91.2 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 322.07 Å 3
Surface Area 277.73 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey RYCMNZMJYZRUAM-WEJBGJPFSA-N
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Elements H C O Cl