4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C222H354F3N23O16 — CID 158006128

IUPAC4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1OCCC2.CC(C)(C)c1cnn2c1CCC2.CC(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)COc2ccnn2C1.CN1CCOc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCC2.c1cc2n(n1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)OCCO2
InChIInChI=1S/C12H18N2O.3C12H17NO.C11H18N2.C11H14O2.C10H14F3N3.C10H16N2O.C10H16N2.C10H13N.2C9H10O.C8H12N2O.3C8H9NO.C7H7NO2.C6H8N2O.9C5H12.2C2H6/c1-12(2,3)9-7-10-11(13-8-9)14(4)5-6-15-10;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)9-6-7-13-10-5-4-8-14-11(9)10;1-12(2,3)11-7-9-5-4-6-14-10(9)8-13-11;1-8-10(11(2,3)4)13-7-5-6-9(13)12-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-6(2)7-5-15-16-8(10(11,12)13)3-4-14-9(7)16;1-10(2,3)8-7-11-9-5-4-6-13-12(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-11-7-6-9-4-2-3-5-10(9)8-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-8(2)5-10-7(11-6-8)3-4-9-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;1-2-6-7(8-3-1)10-5-4-9-6;1-4-8-6(9-5-1)2-3-7-8;9*1-5(2,3)4;2*1-2/h7-8H,5-6H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;5-7H2,1-4H3;4-6H,7H2,1-3H3;5-6,8,14H,3-4H2,1-2H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;1-2,4,6H,3,5,7H2;1-4H,5-7H2;3-4H,5-6H2,1-2H3;1,3,5H,2,4,6H2;2*1-2,4H,3,5-6H2;1-3H,4-5H2;2-3H,1,4-5H2;9*1-4H3;2*1-2H3
InChIKeyFEHWIPWIJJKJPM-UHFFFAOYSA-N
MW3658.41 g/mol
LogP54.33
Rot. Bonds1

About 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 158006128) has the molecular formula C222H354F3N23O16 and a molecular weight of 3658.41 g/mol. Its IUPAC name is 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID158006128
Molecular FormulaC222H354F3N23O16
Molecular Weight3658.41 g/mol
Exact Mass3655.75
IUPAC Name4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1OCCC2.CC(C)(C)c1cnn2c1CCC2.CC(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)COc2ccnn2C1.CN1CCOc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCC2.c1cc2n(n1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)OCCO2
InChIInChI=1S/C12H18N2O.3C12H17NO.C11H18N2.C11H14O2.C10H14F3N3.C10H16N2O.C10H16N2.C10H13N.2C9H10O.C8H12N2O.3C8H9NO.C7H7NO2.C6H8N2O.9C5H12.2C2H6/c1-12(2,3)9-7-10-11(13-8-9)14(4)5-6-15-10;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)9-6-7-13-10-5-4-8-14-11(9)10;1-12(2,3)11-7-9-5-4-6-14-10(9)8-13-11;1-8-10(11(2,3)4)13-7-5-6-9(13)12-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-6(2)7-5-15-16-8(10(11,12)13)3-4-14-9(7)16;1-10(2,3)8-7-11-9-5-4-6-13-12(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-11-7-6-9-4-2-3-5-10(9)8-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-8(2)5-10-7(11-6-8)3-4-9-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;1-2-6-7(8-3-1)10-5-4-9-6;1-4-8-6(9-5-1)2-3-7-8;9*1-5(2,3)4;2*1-2/h7-8H,5-6H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;5-7H2,1-4H3;4-6H,7H2,1-3H3;5-6,8,14H,3-4H2,1-2H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;1-2,4,6H,3,5,7H2;1-4H,5-7H2;3-4H,5-6H2,1-2H3;1,3,5H,2,4,6H2;2*1-2,4H,3,5-6H2;1-3H,4-5H2;2-3H,1,4-5H2;9*1-4H3;2*1-2H3
InChIKeyFEHWIPWIJJKJPM-UHFFFAOYSA-N
XLogP54.33
TPSA376.23 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds1
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003658.41
LogP ≤ 554.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Analyze 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 158006128) is 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c(cn1)OCCC2.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1ccnc2c1OCCC2.CC(C)(C)c1cnc2c(c1)COCC2.CC(C)(C)c1cnc2n1OCCC2.CC(C)(C)c1cnn2c1CCC2.CC(C)c1cnn2c1NCCC2C(F)(F)F.CC1(C)COc2ccnn2C1.CN1CCOc2cc(C(C)(C)C)cnc21.CN1CCc2ccccc2C1.Cc1nc2n(c1C(C)(C)C)CCC2.c1cc2n(n1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)OCCO2.
What is the InChIKey of 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FEHWIPWIJJKJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.3C12H17NO.C11H18N2.C11H14O2.C10H14F3N3.C10H16N2O.C10H16N2.C10H13N.2C9H10O.C8H12N2O.3C8H9NO.C7H7NO2.C6H8N2O.9C5H12.2C2H6/c1-12(2,3)9-7-10-11(13-8-9)14(4)5-6-15-10;1-12(2,3)10-6-9-8-14-5-4-11(9)13-7-10;1-12(2,3)9-6-7-13-10-5-4-8-14-11(9)10;1-12(2,3)11-7-9-5-4-6-14-10(9)8-13-11;1-8-10(11(2,3)4)13-7-5-6-9(13)12-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-6(2)7-5-15-16-8(10(11,12)13)3-4-14-9(7)16;1-10(2,3)8-7-11-9-5-4-6-13-12(8)9;1-10(2,3)8-7-11-12-6-4-5-9(8)12;1-11-7-6-9-4-2-3-5-10(9)8-11;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-8(2)5-10-7(11-6-8)3-4-9-10;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;1-2-6-7(8-3-1)10-5-4-9-6;1-4-8-6(9-5-1)2-3-7-8;9*1-5(2,3)4;2*1-2/h7-8H,5-6H2,1-4H3;2*6-7H,4-5,8H2,1-3H3;7-8H,4-6H2,1-3H3;5-7H2,1-4H3;4-6H,7H2,1-3H3;5-6,8,14H,3-4H2,1-2H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2-5H,6-8H2,1H3;1-2,4,6H,3,5,7H2;1-4H,5-7H2;3-4H,5-6H2,1-2H3;1,3,5H,2,4,6H2;2*1-2,4H,3,5-6H2;1-3H,4-5H2;2-3H,1,4-5H2;9*1-4H3;2*1-2H3.
What are the key properties of 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 3658.41 g/mol, XLogP of 54.33, 1 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-benzodioxole;3-tert-butyl-7,8-dihydro-6H-imidazo[1,2-b]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;nonakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 158006128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).