3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

C296H543N15O35S8 — CID 160894009

IUPAC3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)C1=C(C(C)(C)C)CC=C1.CC(C)(C)[C@@H]1NC(=O)C[C@@H]1C(C)(C)C.CC(C)(C)[C@@H]1NS(=O)(=O)C[C@@H]1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1cscc1C(C)(C)C.CC(C)[C@@H]1NC(=O)C[C@@H]1C(C)(C)C.CC(C)[C@@H]1NC(=O)O[C@@H]1C(C)(C)C.CC(C)[C@@H]1OC(=O)C[C@@H]1C(C)(C)C.CC(C)[C@@H]1[C@H](C(C)C)CNS1(=O)=O.CC(C)[C@H]1C(=O)NC[C@H]1C(C)C.CC(C)[C@H]1C(=O)OC[C@H]1C(C)C.CC(C)[C@H]1CC(=O)O[C@H]1C(C)C.CC(C)[C@H]1CNC(=O)[C@H]1C(C)C.CC(C)[C@H]1CNS(=O)(=O)[C@H]1C(C)C.CC(C)[C@H]1COC(=O)[C@H]1C(C)C.CC(C)[C@H]1CS(=O)(=O)N(C)[C@H]1C(C)C.CC(C)[C@H]1NC(=O)C[C@H]1C(C)C.CC(C)[C@H]1NC(=O)C[C@H]1C(C)C.CC(C)[C@H]1NC(=O)O[C@H]1C(C)C.CC(C)[C@H]1NS(=O)(=O)C[C@H]1C(C)C.CC(C)[C@H]1OC(=O)C[C@H]1C(C)C.CC(C)[C@H]1OC(=O)C[C@H]1C(C)C.CC(C)c1[nH]ccc1C(C)(C)C.CC(C)c1c[nH]cc1C(C)(C)C.CC(C)c1occc1C(C)(C)C.CC(C)c1sccc1C(C)(C)C
InChIInChI=1S/C13H22.C12H23NO.2C12H20O.2C12H20S.C11H23NO2S.C11H21NO.2C11H19N.C11H20O2.C11H18O.C11H18S.C10H21NO2S.C10H19NO2.4C10H19NO.5C10H18O2.3C9H19NO2S.C9H17NO2/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)8-7-9(14)13-10(8)12(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-7-15(13,14)12-9(8)11(4,5)6;1-7(2)10-8(11(3,4)5)6-9(13)12-10;1-8(2)9-6-12-7-10(9)11(3,4)5;1-8(2)10-9(6-7-12-10)11(3,4)5;1-7(2)10-8(11(3,4)5)6-9(12)13-10;2*1-8(2)10-9(6-7-12-10)11(3,4)5;1-7(2)9-6-14(12,13)11(5)10(9)8(3)4;1-6(2)7-8(10(3,4)5)13-9(12)11-7;2*1-6(2)8-5-11-10(12)9(8)7(3)4;2*1-6(2)8-5-9(12)11-10(8)7(3)4;2*1-6(2)8-5-12-10(11)9(8)7(3)4;3*1-6(2)8-5-9(11)12-10(8)7(3)4;1-6(2)8-5-13(11,12)10-9(8)7(3)4;2*1-6(2)8-5-10-13(11,12)9(8)7(3)4;1-5(2)7-8(6(3)4)12-9(11)10-7/h7-8H,9H2,1-6H3;8,10H,7H2,1-6H3,(H,13,14);4*7-8H,1-6H3;8-9,12H,7H2,1-6H3;7-8,10H,6H2,1-5H3,(H,12,13);2*6-8,12H,1-5H3;7-8,10H,6H2,1-5H3;2*6-8H,1-5H3;7-10H,6H2,1-5H3;6-8H,1-5H3,(H,11,12);2*6-9H,5H2,1-4H3,(H,11,12);2*6-8,10H,5H2,1-4H3,(H,11,12);2*6-9H,5H2,1-4H3;3*6-8,10H,5H2,1-4H3;3*6-10H,5H2,1-4H3;5-8H,1-4H3,(H,10,11)/t;8-,10+;;;;;8-,9+;8-,10-;;;8-,10-;;;9-,10+;7-,8-;2*8-,9+;2*8-,10+;2*8-,9+;3*8-,10+;3*8-,9+;7-,8+/m.0....00..0..101000101000101/s1
InChIKeySOQCNDVQNKAOQB-RQIMRLPWSA-N
MW5129.21 g/mol
LogP71.85
Rot. Bonds35

About 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide

3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 160894009) has the molecular formula C296H543N15O35S8 and a molecular weight of 5129.21 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID160894009
Molecular FormulaC296H543N15O35S8
Molecular Weight5129.21 g/mol
Exact Mass5124.89
IUPAC Name3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)C1=C(C(C)(C)C)CC=C1.CC(C)(C)[C@@H]1NC(=O)C[C@@H]1C(C)(C)C.CC(C)(C)[C@@H]1NS(=O)(=O)C[C@@H]1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1cscc1C(C)(C)C.CC(C)[C@@H]1NC(=O)C[C@@H]1C(C)(C)C.CC(C)[C@@H]1NC(=O)O[C@@H]1C(C)(C)C.CC(C)[C@@H]1OC(=O)C[C@@H]1C(C)(C)C.CC(C)[C@@H]1[C@H](C(C)C)CNS1(=O)=O.CC(C)[C@H]1C(=O)NC[C@H]1C(C)C.CC(C)[C@H]1C(=O)OC[C@H]1C(C)C.CC(C)[C@H]1CC(=O)O[C@H]1C(C)C.CC(C)[C@H]1CNC(=O)[C@H]1C(C)C.CC(C)[C@H]1CNS(=O)(=O)[C@H]1C(C)C.CC(C)[C@H]1COC(=O)[C@H]1C(C)C.CC(C)[C@H]1CS(=O)(=O)N(C)[C@H]1C(C)C.CC(C)[C@H]1NC(=O)C[C@H]1C(C)C.CC(C)[C@H]1NC(=O)C[C@H]1C(C)C.CC(C)[C@H]1NC(=O)O[C@H]1C(C)C.CC(C)[C@H]1NS(=O)(=O)C[C@H]1C(C)C.CC(C)[C@H]1OC(=O)C[C@H]1C(C)C.CC(C)[C@H]1OC(=O)C[C@H]1C(C)C.CC(C)c1[nH]ccc1C(C)(C)C.CC(C)c1c[nH]cc1C(C)(C)C.CC(C)c1occc1C(C)(C)C.CC(C)c1sccc1C(C)(C)C
InChIInChI=1S/C13H22.C12H23NO.2C12H20O.2C12H20S.C11H23NO2S.C11H21NO.2C11H19N.C11H20O2.C11H18O.C11H18S.C10H21NO2S.C10H19NO2.4C10H19NO.5C10H18O2.3C9H19NO2S.C9H17NO2/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)8-7-9(14)13-10(8)12(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-7-15(13,14)12-9(8)11(4,5)6;1-7(2)10-8(11(3,4)5)6-9(13)12-10;1-8(2)9-6-12-7-10(9)11(3,4)5;1-8(2)10-9(6-7-12-10)11(3,4)5;1-7(2)10-8(11(3,4)5)6-9(12)13-10;2*1-8(2)10-9(6-7-12-10)11(3,4)5;1-7(2)9-6-14(12,13)11(5)10(9)8(3)4;1-6(2)7-8(10(3,4)5)13-9(12)11-7;2*1-6(2)8-5-11-10(12)9(8)7(3)4;2*1-6(2)8-5-9(12)11-10(8)7(3)4;2*1-6(2)8-5-12-10(11)9(8)7(3)4;3*1-6(2)8-5-9(11)12-10(8)7(3)4;1-6(2)8-5-13(11,12)10-9(8)7(3)4;2*1-6(2)8-5-10-13(11,12)9(8)7(3)4;1-5(2)7-8(6(3)4)12-9(11)10-7/h7-8H,9H2,1-6H3;8,10H,7H2,1-6H3,(H,13,14);4*7-8H,1-6H3;8-9,12H,7H2,1-6H3;7-8,10H,6H2,1-5H3,(H,12,13);2*6-8,12H,1-5H3;7-8,10H,6H2,1-5H3;2*6-8H,1-5H3;7-10H,6H2,1-5H3;6-8H,1-5H3,(H,11,12);2*6-9H,5H2,1-4H3,(H,11,12);2*6-8,10H,5H2,1-4H3,(H,11,12);2*6-9H,5H2,1-4H3;3*6-8,10H,5H2,1-4H3;3*6-10H,5H2,1-4H3;5-8H,1-4H3,(H,10,11)/t;8-,10+;;;;;8-,9+;8-,10-;;;8-,10-;;;9-,10+;7-,8-;2*8-,9+;2*8-,10+;2*8-,9+;3*8-,10+;3*8-,9+;7-,8+/m.0....00..0..101000101000101/s1
InChIKeySOQCNDVQNKAOQB-RQIMRLPWSA-N
XLogP71.85
TPSA702.12 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005129.21
LogP ≤ 571.85
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Analyze 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide (CID 160894009) is 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is CC(C)(C)C1=C(C(C)(C)C)CC=C1.CC(C)(C)[C@@H]1NC(=O)C[C@@H]1C(C)(C)C.CC(C)(C)[C@@H]1NS(=O)(=O)C[C@@H]1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccsc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1cscc1C(C)(C)C.CC(C)[C@@H]1NC(=O)C[C@@H]1C(C)(C)C.CC(C)[C@@H]1NC(=O)O[C@@H]1C(C)(C)C.CC(C)[C@@H]1OC(=O)C[C@@H]1C(C)(C)C.CC(C)[C@@H]1[C@H](C(C)C)CNS1(=O)=O.CC(C)[C@H]1C(=O)NC[C@H]1C(C)C.CC(C)[C@H]1C(=O)OC[C@H]1C(C)C.CC(C)[C@H]1CC(=O)O[C@H]1C(C)C.CC(C)[C@H]1CNC(=O)[C@H]1C(C)C.CC(C)[C@H]1CNS(=O)(=O)[C@H]1C(C)C.CC(C)[C@H]1COC(=O)[C@H]1C(C)C.CC(C)[C@H]1CS(=O)(=O)N(C)[C@H]1C(C)C.CC(C)[C@H]1NC(=O)C[C@H]1C(C)C.CC(C)[C@H]1NC(=O)C[C@H]1C(C)C.CC(C)[C@H]1NC(=O)O[C@H]1C(C)C.CC(C)[C@H]1NS(=O)(=O)C[C@H]1C(C)C.CC(C)[C@H]1OC(=O)C[C@H]1C(C)C.CC(C)[C@H]1OC(=O)C[C@H]1C(C)C.CC(C)c1[nH]ccc1C(C)(C)C.CC(C)c1c[nH]cc1C(C)(C)C.CC(C)c1occc1C(C)(C)C.CC(C)c1sccc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is SOQCNDVQNKAOQB-RQIMRLPWSA-N. The full InChI is InChI=1S/C13H22.C12H23NO.2C12H20O.2C12H20S.C11H23NO2S.C11H21NO.2C11H19N.C11H20O2.C11H18O.C11H18S.C10H21NO2S.C10H19NO2.4C10H19NO.5C10H18O2.3C9H19NO2S.C9H17NO2/c1-12(2,3)10-8-7-9-11(10)13(4,5)6;1-11(2,3)8-7-9(14)13-10(8)12(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-11(2,3)9-7-13-8-10(9)12(4,5)6;1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-10(2,3)8-7-15(13,14)12-9(8)11(4,5)6;1-7(2)10-8(11(3,4)5)6-9(13)12-10;1-8(2)9-6-12-7-10(9)11(3,4)5;1-8(2)10-9(6-7-12-10)11(3,4)5;1-7(2)10-8(11(3,4)5)6-9(12)13-10;2*1-8(2)10-9(6-7-12-10)11(3,4)5;1-7(2)9-6-14(12,13)11(5)10(9)8(3)4;1-6(2)7-8(10(3,4)5)13-9(12)11-7;2*1-6(2)8-5-11-10(12)9(8)7(3)4;2*1-6(2)8-5-9(12)11-10(8)7(3)4;2*1-6(2)8-5-12-10(11)9(8)7(3)4;3*1-6(2)8-5-9(11)12-10(8)7(3)4;1-6(2)8-5-13(11,12)10-9(8)7(3)4;2*1-6(2)8-5-10-13(11,12)9(8)7(3)4;1-5(2)7-8(6(3)4)12-9(11)10-7/h7-8H,9H2,1-6H3;8,10H,7H2,1-6H3,(H,13,14);4*7-8H,1-6H3;8-9,12H,7H2,1-6H3;7-8,10H,6H2,1-5H3,(H,12,13);2*6-8,12H,1-5H3;7-8,10H,6H2,1-5H3;2*6-8H,1-5H3;7-10H,6H2,1-5H3;6-8H,1-5H3,(H,11,12);2*6-9H,5H2,1-4H3,(H,11,12);2*6-8,10H,5H2,1-4H3,(H,11,12);2*6-9H,5H2,1-4H3;3*6-8,10H,5H2,1-4H3;3*6-10H,5H2,1-4H3;5-8H,1-4H3,(H,10,11)/t;8-,10+;;;;;8-,9+;8-,10-;;;8-,10-;;;9-,10+;7-,8-;2*8-,9+;2*8-,10+;2*8-,9+;3*8-,10+;3*8-,9+;7-,8+/m.0....00..0..101000101000101/s1.
What are the key properties of 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide?
3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 5129.21 g/mol, XLogP of 71.85, 35 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-ylfuran;(4S,5R)-5-tert-butyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-tert-butyl-5-propan-2-yloxolan-2-one;3-tert-butyl-2-propan-2-yl-1H-pyrrole;3-tert-butyl-4-propan-2-yl-1H-pyrrole;(4R,5S)-4-tert-butyl-5-propan-2-ylpyrrolidin-2-one;3-tert-butyl-2-propan-2-ylthiophene;1,2-ditert-butylcyclopenta-1,3-diene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;(4R,5R)-4,5-ditert-butylpyrrolidin-2-one;(3R,4R)-3,4-ditert-butyl-1,2-thiazolidine 1,1-dioxide;2,3-ditert-butylthiophene;3,4-ditert-butylthiophene;(4R,5S)-4,5-di(propan-2-yl)-1,3-oxazolidin-2-one;(3S,4R)-3,4-di(propan-2-yl)oxolan-2-one;(3R,4S)-3,4-di(propan-2-yl)oxolan-2-one;(4R,5S)-4,5-di(propan-2-yl)oxolan-2-one;bis((4S,5R)-4,5-di(propan-2-yl)oxolan-2-one);(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one;(3R,4S)-3,4-di(propan-2-yl)pyrrolidin-2-one;bis((4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one);(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4R,5R)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(4S,5S)-4,5-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide;(3S,4R)-2-methyl-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 160894009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).