About bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane (PubChem CID 161274371) has the molecular formula C190H334O20P2Si8
and a molecular weight of 3225.38 g/mol. Its IUPAC name is bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane.
Frequently Asked Questions
What is the IUPAC name of bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The IUPAC name of bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane (CID 161274371) is bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The canonical SMILES for bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane is C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CCC3C(C)(CCCC(C)(C)O)CCCC(C)(C)O)CC(O)C[C@@H]1O.C=C1/C(=C\CP(=O)(c2ccccc2)c2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OC1C/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.CC(C)(CCCC(C)(CCCC(C)(C)O[Si](C)(C)C)C1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(CCCC(C)(CCCC(C)(C)O[Si](C)(C)C)C1CCC2C(=O)CCC[C@@]21C)O[Si](C)(C)C.CC(C)(O)CCCC(C)(CCCC(C)(C)O)C1CCC2/C(=C/C=C3\CC(O)C[C@H](O)C3)CCC[C@@]21C.
What is the InChIKey of bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
The InChIKey is VEFXBFIQSQWDPA-BHVJEFIPSA-N. The full InChI is InChI=1S/C33H56O4.C33H51O3PSi2.C32H56O4.C32H51O3PSi2.2C30H60O3Si2/c1-23-25(21-26(34)22-28(23)35)13-12-24-11-8-20-33(7)27(24)14-15-29(33)32(6,18-9-16-30(2,3)36)19-10-17-31(4,5)37;1-26-27(22-23-37(34,29-18-14-12-15-19-29)30-20-16-13-17-21-30)24-28(35-38(8,9)32(2,3)4)25-31(26)36-39(10,11)33(5,6)7;1-29(2,35)15-8-17-31(5,18-9-16-30(3,4)36)28-14-13-27-24(10-7-19-32(27,28)6)12-11-23-20-25(33)22-26(34)21-23;1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30;2*1-27(2,32-34(7,8)9)19-14-21-29(5,22-15-20-28(3,4)33-35(10,11)12)26-18-17-24-25(31)16-13-23-30(24,26)6/h12-13,26-29,34-37H,1,8-11,14-22H2,2-7H3;12-22,28,31H,1,23-25H2,2-11H3;11-12,25-28,33-36H,7-10,13-22H2,1-6H3;11-21,27-28H,22-25H2,1-10H3;2*24,26H,13-23H2,1-12H3/b24-12+,25-13-;27-22-;23-11-,24-12+;26-21-;;/t26?,27?,28-,29?,33-;28?,31-;25-,26?,27?,28?,32+;27-,28?;2*24?,26?,30-/m001100/s1.
What are the key properties of bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane?
bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane has a molecular weight of 3225.38 g/mol, XLogP of 50.57, 62 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis((7aR)-7a-methyl-1-[2,6,10-trimethyl-2,10-bis(trimethylsilyloxy)undecan-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one);(3R)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol;(3S,5Z)-5-[(2E)-2-[(7aR)-1-(2,10-dihydroxy-2,6,10-trimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;tert-butyl-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane;tert-butyl-[(1S,3Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 161274371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).