25583-20-4 Purity
99.9 %
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Specification
The molecular formula is C41H72O12Si8.
The molecular weight is 981.7 g/mol.
It was created on September 8, 2005.
It was last modified on November 25, 2023.
The IUPAC name is 1-cyclohex-3-en-1-yl-3,5,7,9,11,13,15-heptacyclopentyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane.
The InChI is InChI=1S/C41H72O12Si8/c1-2-18-34(19-3-1)54-42-55(35-20-4-5-21-35)45-58(38-26-10-11-27-38)47-56(43-54,36-22-6-7-23-36)49-60(40-30-14-15-31-40)50-57(44-54,37-24-8-9-25-37)48-59(46-55,39-28-12-13-29-39)52-61(51-58,53-60)41-32-16-17-33-41/h1-2,34-41H,3-33H2.
The InChIKey is VHADFQZVTXSMFQ-UHFFFAOYSA-N.
The canonical SMILES is C1CCC(C1)[Si]23O[Si]4(O[Si]5(O[Si](O2)(O[Si]6(O[Si](O3)(O[Si](O4)(O[Si](O5)(O6)C7CCC=CC7)C8CCCC8)C9CCCC9)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1.
The hydrogen bond donor count is 0.
Yes, the compound is canonicalized.