1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one

C169H266N8O7S — CID 157383123

IUPAC1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one
SMILESCC(C)(C)CCC(=O)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)CCC(=O)N1CCc2cc(C(C)(C)C)ccc21.CC(C)(C)CN1CCc2cc(C(C)(C)C)ccc21.CC(C)(C)CNC(=O)c1ccc(C(C)(C)C)o1.CC(C)(C)CNC(=O)c1ccc(C(C)(C)C)s1.CC(C)(C)Cn1cc(C(C)(C)C)c2ccccc21.CC(C)(C)Cn1ccc2cc(C(C)(C)C)ccc21.COc1cc(N(C)CC(C)(C)C)cc(C)c1C(C)(C)C.Cc1c(C(C)(C)C)c2ccccc2n1CC(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1OCC(C)(C)C
InChIInChI=1S/C19H29NO.C18H31NO.C18H27N.C18H28O.C17H27N.2C17H25N.C17H28O.C14H23NO2.C14H23NOS/c1-18(2,3)11-9-17(21)20-12-10-14-13-15(19(4,5)6)7-8-16(14)20;1-13-10-14(19(8)12-17(2,3)4)11-15(20-9)16(13)18(5,6)7;1-13-16(18(5,6)7)14-10-8-9-11-15(14)19(13)12-17(2,3)4;1-17(2,3)12-11-16(19)13-14-7-9-15(10-8-14)18(4,5)6;2*1-16(2,3)12-18-10-9-13-11-14(17(4,5)6)7-8-15(13)18;1-16(2,3)12-18-11-14(17(4,5)6)13-9-7-8-10-15(13)18;1-12-9-10-14(17(6,7)8)13(2)15(12)18-11-16(3,4)5;2*1-13(2,3)9-15-12(16)10-7-8-11(17-10)14(4,5)6/h7-8,13H,9-12H2,1-6H3;10-11H,12H2,1-9H3;8-11H,12H2,1-7H3;7-10H,11-13H2,1-6H3;7-8,11H,9-10,12H2,1-6H3;2*7-11H,12H2,1-6H3;9-10H,11H2,1-8H3;2*7-8H,9H2,1-6H3,(H,15,16)
InChIKeyBLCUIMDENRTPAZ-UHFFFAOYSA-N
MW2554.10 g/mol
LogP46.26
Rot. Bonds19

About 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one

1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one (PubChem CID 157383123) has the molecular formula C169H266N8O7S and a molecular weight of 2554.10 g/mol. Its IUPAC name is 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one
PubChem CID157383123
Molecular FormulaC169H266N8O7S
Molecular Weight2554.10 g/mol
Exact Mass2552.04
IUPAC Name1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one
SMILESCC(C)(C)CCC(=O)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)CCC(=O)N1CCc2cc(C(C)(C)C)ccc21.CC(C)(C)CN1CCc2cc(C(C)(C)C)ccc21.CC(C)(C)CNC(=O)c1ccc(C(C)(C)C)o1.CC(C)(C)CNC(=O)c1ccc(C(C)(C)C)s1.CC(C)(C)Cn1cc(C(C)(C)C)c2ccccc21.CC(C)(C)Cn1ccc2cc(C(C)(C)C)ccc21.COc1cc(N(C)CC(C)(C)C)cc(C)c1C(C)(C)C.Cc1c(C(C)(C)C)c2ccccc2n1CC(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1OCC(C)(C)C
InChIInChI=1S/C19H29NO.C18H31NO.C18H27N.C18H28O.C17H27N.2C17H25N.C17H28O.C14H23NO2.C14H23NOS/c1-18(2,3)11-9-17(21)20-12-10-14-13-15(19(4,5)6)7-8-16(14)20;1-13-10-14(19(8)12-17(2,3)4)11-15(20-9)16(13)18(5,6)7;1-13-16(18(5,6)7)14-10-8-9-11-15(14)19(13)12-17(2,3)4;1-17(2,3)12-11-16(19)13-14-7-9-15(10-8-14)18(4,5)6;2*1-16(2,3)12-18-10-9-13-11-14(17(4,5)6)7-8-15(13)18;1-16(2,3)12-18-11-14(17(4,5)6)13-9-7-8-10-15(13)18;1-12-9-10-14(17(6,7)8)13(2)15(12)18-11-16(3,4)5;2*1-13(2,3)9-15-12(16)10-7-8-11(17-10)14(4,5)6/h7-8,13H,9-12H2,1-6H3;10-11H,12H2,1-9H3;8-11H,12H2,1-7H3;7-10H,11-13H2,1-6H3;7-8,11H,9-10,12H2,1-6H3;2*7-11H,12H2,1-6H3;9-10H,11H2,1-8H3;2*7-8H,9H2,1-6H3,(H,15,16)
InChIKeyBLCUIMDENRTPAZ-UHFFFAOYSA-N
XLogP46.26
TPSA148.45 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002554.10
LogP ≤ 546.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one with MolForge

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Related Compounds

CID 157078640
CID 157078640
4,34-Bis(1-benzothiophen-3-yl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4,34-di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
CID 157208762
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157342503
1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one;1-(2,2-dimethylpropoxy)-4-(2,3,3-trimethylbutan-2-yl)benzene
CID 157618376
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157679396
4,34-Di(dibenzofuran-2-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;4,34-di(dibenzothiophen-4-yl)-13,19,25-trioxanonacyclo[18.15.0.02,18.05,17.06,14.07,12.021,33.024,32.026,31]pentatriaconta-1(35),2,4,6(14),7,9,11,15,17,20,22,24(32),26,28,30,33-hexadecaene;8,30-diphenyl-4,34-dipyridin-3-yl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene;4-(4-methoxyphenyl)-34-(4-methylphenyl)-8,30-diphenyl-19-oxa-8,30-diazanonacyclo[18.15.0.02,18.05,17.07,15.09,14.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,9,11,13,15,17,20,22,24,26,28,31,33-hexadecaene
CID 157900553
CID 158156179
CID 158156179
3-[6-Carbazol-9-yl-8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-phenylcarbazole;6-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3-[3-[4-(3-carbazol-9-yl-5-methylphenyl)-8-(3-carbazol-9-ylphenyl)-1,3,7,9-tetramethyldibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 158164044
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;methane
CID 159380854
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;5-tert-butyl-3-methyl-1,3-benzoxazol-3-ium;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 159644945
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;7-tert-butyl-1-benzothiophene;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 160234064
12-dibenzofuran-2-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;12-dibenzothiophen-4-yl-7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene;N,N-diphenyl-4-(7-phenyl-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaen-12-yl)aniline;7-phenyl-12-(9-phenylcarbazol-3-yl)-22-oxa-7-azahexacyclo[11.11.0.02,10.04,8.015,23.016,21]tetracosa-1,3,5,8,10,12,14,16,18,20,23-undecaene
CID 160578880

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one?
The IUPAC name of 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one (CID 157383123) is 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one.
What is the SMILES notation for 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one?
The canonical SMILES for 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one is CC(C)(C)CCC(=O)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)CCC(=O)N1CCc2cc(C(C)(C)C)ccc21.CC(C)(C)CN1CCc2cc(C(C)(C)C)ccc21.CC(C)(C)CNC(=O)c1ccc(C(C)(C)C)o1.CC(C)(C)CNC(=O)c1ccc(C(C)(C)C)s1.CC(C)(C)Cn1cc(C(C)(C)C)c2ccccc21.CC(C)(C)Cn1ccc2cc(C(C)(C)C)ccc21.COc1cc(N(C)CC(C)(C)C)cc(C)c1C(C)(C)C.Cc1c(C(C)(C)C)c2ccccc2n1CC(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1OCC(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one?
The InChIKey is BLCUIMDENRTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO.C18H31NO.C18H27N.C18H28O.C17H27N.2C17H25N.C17H28O.C14H23NO2.C14H23NOS/c1-18(2,3)11-9-17(21)20-12-10-14-13-15(19(4,5)6)7-8-16(14)20;1-13-10-14(19(8)12-17(2,3)4)11-15(20-9)16(13)18(5,6)7;1-13-16(18(5,6)7)14-10-8-9-11-15(14)19(13)12-17(2,3)4;1-17(2,3)12-11-16(19)13-14-7-9-15(10-8-14)18(4,5)6;2*1-16(2,3)12-18-10-9-13-11-14(17(4,5)6)7-8-15(13)18;1-16(2,3)12-18-11-14(17(4,5)6)13-9-7-8-10-15(13)18;1-12-9-10-14(17(6,7)8)13(2)15(12)18-11-16(3,4)5;2*1-13(2,3)9-15-12(16)10-7-8-11(17-10)14(4,5)6/h7-8,13H,9-12H2,1-6H3;10-11H,12H2,1-9H3;8-11H,12H2,1-7H3;7-10H,11-13H2,1-6H3;7-8,11H,9-10,12H2,1-6H3;2*7-11H,12H2,1-6H3;9-10H,11H2,1-8H3;2*7-8H,9H2,1-6H3,(H,15,16).
What are the key properties of 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one?
1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one has a molecular weight of 2554.10 g/mol, XLogP of 46.26, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-1-one;1-tert-butyl-3-(2,2-dimethylpropoxy)-2,4-dimethylbenzene;5-tert-butyl-1-(2,2-dimethylpropyl)-2,3-dihydroindole;5-tert-butyl-N-(2,2-dimethylpropyl)furan-2-carboxamide;3-tert-butyl-1-(2,2-dimethylpropyl)indole;5-tert-butyl-1-(2,2-dimethylpropyl)indole;4-tert-butyl-N-(2,2-dimethylpropyl)-3-methoxy-N,5-dimethylaniline;3-tert-butyl-1-(2,2-dimethylpropyl)-2-methylindole;5-tert-butyl-N-(2,2-dimethylpropyl)thiophene-2-carboxamide;1-(4-tert-butylphenyl)-5,5-dimethylhexan-2-one is sourced from PubChem (CID 157383123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).