About (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate
(1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate (PubChem CID 158435237) has the molecular formula C125H157F17O42Si
and a molecular weight of 2682.64 g/mol. Its IUPAC name is (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate.
Frequently Asked Questions
What is the IUPAC name of (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate?
The IUPAC name of (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate (CID 158435237) is (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate.
What is the SMILES notation for (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate?
The canonical SMILES for (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate is CC1C2CC(C(=O)OC(C(=O)OC(C)C(F)(F)F)C(=O)OC(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(C(=O)OC3C(=O)OC4C5OC(c6ccc(C(=O)OC(C)C(F)(F)F)cc6)OC5OC34)C(C2)C1C.CC1C2CC(C(=O)OC3C(=O)OC4C5OC6(CCC(C(=O)OC(C)C(F)(F)F)CC6)OC5OC34)C(C2)C1C.CC1C2CC(C(=O)OC3C(=O)OC4C5OC6(CCC(C(=O)OC(F)(F)CC[Si](C)(C)C)CC6)OC5OC34)C(C2)C1C.CCOC(=O)C1CCCC12OC1OC3C(OC(=O)C4CC5CC4C(C)C5C)C(=O)OC3C1O2.
What is the InChIKey of (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate?
The InChIKey is HCDLGTQIVUPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42F2O9Si.C27H29F3O9.C26H33F3O9.C24H32O9.C19H21F9O6/c1-14-15(2)18-12-17(14)13-19(18)25(33)36-22-20-21(35-26(22)34)23-27(37-20)40-28(38-23)8-6-16(7-9-28)24(32)39-29(30,31)10-11-41(3,4)5;1-10-11(2)16-8-15(10)9-17(16)23(32)36-20-18-19(35-24(20)33)21-26(37-18)39-25(38-21)14-6-4-13(5-7-14)22(31)34-12(3)27(28,29)30;1-10-11(2)15-8-14(10)9-16(15)22(31)35-19-17-18(34-23(19)32)20-24(36-17)38-25(37-20)6-4-13(5-7-25)21(30)33-12(3)26(27,28)29;1-4-28-21(26)15-6-5-7-24(15)32-19-17-16(31-23(19)33-24)18(22(27)29-17)30-20(25)14-9-12-8-13(14)11(3)10(12)2;1-6-7(2)10-4-9(6)5-11(10)13(29)33-12(14(30)32-8(3)17(20,21)22)15(31)34-16(18(23,24)25)19(26,27)28/h14-23,27H,6-13H2,1-5H3;4-7,10-12,15-21,25-26H,8-9H2,1-3H3;10-20,24H,4-9H2,1-3H3;10-19,23H,4-9H2,1-3H3;6-12,16H,4-5H2,1-3H3.
What are the key properties of (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate?
(1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate has a molecular weight of 2682.64 g/mol, XLogP of 17.92, 26 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-trimethylsilylpropyl) 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate;ethyl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,2'-cyclopentane]-1'-carboxylate;1-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 3-O-(1,1,1-trifluoropropan-2-yl) 2-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxypropanedioate;[10-oxo-4-[4-(1,1,1-trifluoropropan-2-yloxycarbonyl)phenyl]-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl] 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate;1,1,1-trifluoropropan-2-yl 9-(5,6-dimethylbicyclo[2.2.1]heptane-2-carbonyl)oxy-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-cyclohexane]-1'-carboxylate is sourced from PubChem (CID 158435237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).