(17β)-3-Oxoandrost-4-En-17-Yl 3-Hexylcyclobutanecarboxylate

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Properties Simple | Detailed

Formula C29H16O3
IUPAC Name (2z,7z)-7-buta-1,3-diynyl-6-(4-hydroxybuta-1,3-diynyl)-8-methyl-cyclodeca-2,4,5,7-tetraen-9-yn-1-one; (3-penta-1,3-diynylcyclobutylidene)methanone
Molecular Mass 412.436 g·mol−1
Heat of Formation -773.5 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 604.41 Å 3
Surface Area 493.5 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
InChIKey POXFJRQAAPDUAC-BAKYWRNVSA-N
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