5-[(1E)-2-(4-Carboxycyclohexyl)-1-Propen-1-Yl]-7-Methyl-2-(6-Methyl-5-Hepten-2-Yl)-1,5,8,8A-Tetrahydro-4A(2H)-Naphthalenecarboxylic Acid

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Properties Simple | Detailed

Formula C30H26O4
IUPAC Name [(3r)-9-[(2,3-dimethylenecyclobutylidene)methylene]-10-ethynyl-14-(2-hydroxyethynyl)-4,8-dimethylene-12-prop-1-ynyl-1,13-dioxaspiro[2.11]tetradec-5-yn-11-ylidene]methanone; methane
Molecular Mass 450.525 g·mol−1
Heat of Formation 5047.1 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 512.94 Å 3
Surface Area 429.71 Å 2
HOMO Energy -6.62 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey OTBMTWUPWVANPM-FORMMYDWSA-N
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Elements C O