4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane

C281H474F2N32O14S2 — CID 160962068

IUPAC4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(C)(C)C)c2c1C=CC2.CC(C)(C)c1ccc(C(C)(C)C)c2c1OC(F)(F)O2.CC(C)(C)c1ccc(C(C)(C)C)c2c1OCO2.CC(C)(C)c1ccc(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)c2c1CC=C2.CC(C)(C)c1cnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1cnc(C(C)(C)C)c2c1OCC2.CC(C)(C)c1cnc(C(C)(C)C)c2ocnc12.CC(C)(C)c1cnc(C(C)(C)C)c2scnc12.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nn1.CC(C)(C)c1ncc(C(C)(C)C)c2occc12.CC(C)(C)c1nnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1nnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1nnc(C(C)(C)C)c2ocnc12.CC(C)(C)c1nnc(C(C)(C)C)c2scnc12.COc1cc(C(C)(C)C)nnc1C(C)(C)C.COc1nc(C(C)(C)C)cnc1C(C)(C)C.COc1nc(C(C)(C)C)nnc1C(C)(C)C
InChIInChI=1S/C17H24.C16H23N.C15H20F2O2.C15H23NO.C15H21NO.C15H23NO.C15H22O2.C14H20N2O.2C14H22N2O.C14H20N2S.C13H19N3O.C13H19N3S.2C13H22N2O.C12H21N3O.2C12H20N2.C11H19N3.18CH4/c1-16(2,3)14-10-11-15(17(4,5)6)13-9-7-8-12(13)14;1-15(2,3)13-10-17-14(16(4,5)6)12-9-7-8-11(12)13;1-13(2,3)9-7-8-10(14(4,5)6)12-11(9)18-15(16,17)19-12;2*1-14(2,3)11-9-16-13(15(4,5)6)10-7-8-17-12(10)11;1-14(2,3)11-9-16-13(15(4,5)6)12-10(11)7-8-17-12;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-13(2,3)9-7-15-12(14(4,5)6)11-10(9)16-8-17-11;2*1-13(2,3)11-9-7-8-17-10(9)12(16-15-11)14(4,5)6;1-13(2,3)9-7-15-12(14(4,5)6)11-10(9)16-8-17-11;2*1-12(2,3)10-8-9(17-7-14-8)11(16-15-10)13(4,5)6;1-12(2,3)9-8-14-10(13(4,5)6)11(15-9)16-7;1-12(2,3)10-8-9(16-7)11(15-14-10)13(4,5)6;1-11(2,3)8-9(16-7)13-10(15-14-8)12(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-8-10(14-13-9)12(4,5)6;1-10(2,3)8-7-12-9(14-13-8)11(4,5)6;;;;;;;;;;;;;;;;;;/h7-8,10-11H,9H2,1-6H3;7,9-10H,8H2,1-6H3;7-8H,1-6H3;9H,7-8H2,1-6H3;7-9H,1-6H3;9H,7-8H2,1-6H3;7-8H,9H2,1-6H3;7-8H,1-6H3;2*7-8H2,1-6H3;7-8H,1-6H3;2*7H,1-6H3;2*8H,1-7H3;1-7H3;2*7-8H,1-6H3;7H,1-6H3;18*1H4
InChIKeySXDCJRPGMONHJQ-UHFFFAOYSA-N
MW4627.22 g/mol
LogP79.06
Rot. Bonds3

About 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane

4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane (PubChem CID 160962068) has the molecular formula C281H474F2N32O14S2 and a molecular weight of 4627.22 g/mol. Its IUPAC name is 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane.

Molecular Properties

Compound Name4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane
PubChem CID160962068
Molecular FormulaC281H474F2N32O14S2
Molecular Weight4627.22 g/mol
Exact Mass4623.68
IUPAC Name4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(C)(C)C)c2c1C=CC2.CC(C)(C)c1ccc(C(C)(C)C)c2c1OC(F)(F)O2.CC(C)(C)c1ccc(C(C)(C)C)c2c1OCO2.CC(C)(C)c1ccc(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)c2c1CC=C2.CC(C)(C)c1cnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1cnc(C(C)(C)C)c2c1OCC2.CC(C)(C)c1cnc(C(C)(C)C)c2ocnc12.CC(C)(C)c1cnc(C(C)(C)C)c2scnc12.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nn1.CC(C)(C)c1ncc(C(C)(C)C)c2occc12.CC(C)(C)c1nnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1nnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1nnc(C(C)(C)C)c2ocnc12.CC(C)(C)c1nnc(C(C)(C)C)c2scnc12.COc1cc(C(C)(C)C)nnc1C(C)(C)C.COc1nc(C(C)(C)C)cnc1C(C)(C)C.COc1nc(C(C)(C)C)nnc1C(C)(C)C
InChIInChI=1S/C17H24.C16H23N.C15H20F2O2.C15H23NO.C15H21NO.C15H23NO.C15H22O2.C14H20N2O.2C14H22N2O.C14H20N2S.C13H19N3O.C13H19N3S.2C13H22N2O.C12H21N3O.2C12H20N2.C11H19N3.18CH4/c1-16(2,3)14-10-11-15(17(4,5)6)13-9-7-8-12(13)14;1-15(2,3)13-10-17-14(16(4,5)6)12-9-7-8-11(12)13;1-13(2,3)9-7-8-10(14(4,5)6)12-11(9)18-15(16,17)19-12;2*1-14(2,3)11-9-16-13(15(4,5)6)10-7-8-17-12(10)11;1-14(2,3)11-9-16-13(15(4,5)6)12-10(11)7-8-17-12;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-13(2,3)9-7-15-12(14(4,5)6)11-10(9)16-8-17-11;2*1-13(2,3)11-9-7-8-17-10(9)12(16-15-11)14(4,5)6;1-13(2,3)9-7-15-12(14(4,5)6)11-10(9)16-8-17-11;2*1-12(2,3)10-8-9(17-7-14-8)11(16-15-10)13(4,5)6;1-12(2,3)9-8-14-10(13(4,5)6)11(15-9)16-7;1-12(2,3)10-8-9(16-7)11(15-14-10)13(4,5)6;1-11(2,3)8-9(16-7)13-10(15-14-8)12(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-8-10(14-13-9)12(4,5)6;1-10(2,3)8-7-12-9(14-13-8)11(4,5)6;;;;;;;;;;;;;;;;;;/h7-8,10-11H,9H2,1-6H3;7,9-10H,8H2,1-6H3;7-8H,1-6H3;9H,7-8H2,1-6H3;7-9H,1-6H3;9H,7-8H2,1-6H3;7-8H,9H2,1-6H3;7-8H,1-6H3;2*7-8H2,1-6H3;7-8H,1-6H3;2*7H,1-6H3;2*8H,1-7H3;1-7H3;2*7-8H,1-6H3;7H,1-6H3;18*1H4
InChIKeySXDCJRPGMONHJQ-UHFFFAOYSA-N
XLogP79.06
TPSA553.43 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds3
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004627.22
LogP ≤ 579.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane with MolForge

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Launch Full Analysis

Related Compounds

CID 157666670
CID 157666670
CID 157967017
CID 157967017
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine);4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-indene;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-d]pyridazine;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;4,7-di(propan-2-yl)-[1,3]thiazolo[4,5-d]pyridazine;bis(3-methoxy-2,5-di(propan-2-yl)pyrazine);3-methoxy-2,5-di(propan-2-yl)pyridine
CID 158166847
CID 158294602
CID 158294602
CID 158395365
CID 158395365
CID 158646509
CID 158646509
CID 159492728
CID 159492728
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;4,7-di(propan-2-yl)-1,3-benzodioxole;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-d]pyridazine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;4,7-di(propan-2-yl)-1H-isoindole;4,7-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-[1,3]thiazolo[5,4-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 159709508
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 160389507
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-1H-pyrrolo[3,2-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;methane;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 160500598
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 160679878

Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane?
The IUPAC name of 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane (CID 160962068) is 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane.
What is the SMILES notation for 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane?
The canonical SMILES for 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(C)(C)C)c2c1C=CC2.CC(C)(C)c1ccc(C(C)(C)C)c2c1OC(F)(F)O2.CC(C)(C)c1ccc(C(C)(C)C)c2c1OCO2.CC(C)(C)c1ccc(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)c2c1CC=C2.CC(C)(C)c1cnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1cnc(C(C)(C)C)c2c1OCC2.CC(C)(C)c1cnc(C(C)(C)C)c2ocnc12.CC(C)(C)c1cnc(C(C)(C)C)c2scnc12.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nn1.CC(C)(C)c1ncc(C(C)(C)C)c2occc12.CC(C)(C)c1nnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1nnc(C(C)(C)C)c2c1CCO2.CC(C)(C)c1nnc(C(C)(C)C)c2ocnc12.CC(C)(C)c1nnc(C(C)(C)C)c2scnc12.COc1cc(C(C)(C)C)nnc1C(C)(C)C.COc1nc(C(C)(C)C)cnc1C(C)(C)C.COc1nc(C(C)(C)C)nnc1C(C)(C)C.
What is the InChIKey of 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane?
The InChIKey is SXDCJRPGMONHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24.C16H23N.C15H20F2O2.C15H23NO.C15H21NO.C15H23NO.C15H22O2.C14H20N2O.2C14H22N2O.C14H20N2S.C13H19N3O.C13H19N3S.2C13H22N2O.C12H21N3O.2C12H20N2.C11H19N3.18CH4/c1-16(2,3)14-10-11-15(17(4,5)6)13-9-7-8-12(13)14;1-15(2,3)13-10-17-14(16(4,5)6)12-9-7-8-11(12)13;1-13(2,3)9-7-8-10(14(4,5)6)12-11(9)18-15(16,17)19-12;2*1-14(2,3)11-9-16-13(15(4,5)6)10-7-8-17-12(10)11;1-14(2,3)11-9-16-13(15(4,5)6)12-10(11)7-8-17-12;1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13;1-13(2,3)9-7-15-12(14(4,5)6)11-10(9)16-8-17-11;2*1-13(2,3)11-9-7-8-17-10(9)12(16-15-11)14(4,5)6;1-13(2,3)9-7-15-12(14(4,5)6)11-10(9)16-8-17-11;2*1-12(2,3)10-8-9(17-7-14-8)11(16-15-10)13(4,5)6;1-12(2,3)9-8-14-10(13(4,5)6)11(15-9)16-7;1-12(2,3)10-8-9(16-7)11(15-14-10)13(4,5)6;1-11(2,3)8-9(16-7)13-10(15-14-8)12(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;1-11(2,3)9-7-8-10(14-13-9)12(4,5)6;1-10(2,3)8-7-12-9(14-13-8)11(4,5)6;;;;;;;;;;;;;;;;;;/h7-8,10-11H,9H2,1-6H3;7,9-10H,8H2,1-6H3;7-8H,1-6H3;9H,7-8H2,1-6H3;7-9H,1-6H3;9H,7-8H2,1-6H3;7-8H,9H2,1-6H3;7-8H,1-6H3;2*7-8H2,1-6H3;7-8H,1-6H3;2*7H,1-6H3;2*8H,1-7H3;1-7H3;2*7-8H,1-6H3;7H,1-6H3;18*1H4.
What are the key properties of 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane?
4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane has a molecular weight of 4627.22 g/mol, XLogP of 79.06, 3 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-1,3-benzodioxole;1,4-ditert-butyl-5H-cyclopenta[c]pyridine;4,7-ditert-butyl-2,2-difluoro-1,3-benzodioxole;4,7-ditert-butyl-2,3-dihydrofuro[2,3-c]pyridine;4,7-ditert-butyl-2,3-dihydrofuro[3,2-c]pyridine;bis(4,7-ditert-butyl-2,3-dihydrofuro[2,3-d]pyridazine);4,7-ditert-butylfuro[3,2-c]pyridine;4,7-ditert-butyl-1H-indene;2,5-ditert-butyl-3-methoxypyrazine;3,6-ditert-butyl-4-methoxypyridazine;3,6-ditert-butyl-5-methoxy-1,2,4-triazine;4,7-ditert-butyl-[1,3]oxazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]oxazolo[4,5-d]pyridazine;2,5-ditert-butylpyrazine;3,6-ditert-butylpyridazine;4,7-ditert-butyl-[1,3]thiazolo[5,4-c]pyridine;4,7-ditert-butyl-[1,3]thiazolo[4,5-d]pyridazine;3,6-ditert-butyl-1,2,4-triazine;methane is sourced from PubChem (CID 160962068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).