1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)

C266H466F4N30O19S — CID 160912423

IUPAC1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)
SMILESCC(C)(C)C1(C#N)CCC1.CC(C)(C)CCc1ccco1.CC(C)(C)CCc1ccoc1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)OC(=O)N1CC(OC(C)(C)C)C1.CC(C)(C)OC1CC1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CC1(F)F.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncc(CO)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncs1.CC(C)OC(C)(C)C.CC(C)OC(C)(C)C.CC(C)OC(C)(C)C.CC(C)n1nccc1C(C)(C)C.CN1CCN(CC(C)(C)C)CC1.COCCn1cc(C(C)(C)C)cn1.COc1cnccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1cncc(C(C)(C)C)c1.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.O=C=O.[C-]#[N+]C(C)OC(C)(C)C.[C-]#[N+]C1(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2.C12H23NO3.C10H18N2O.C10H18N2.C10H22N2.2C10H15NO.C10H15N.2C10H16O.2C9H12FN.C9H16N2.C9H19NO.C9H15NO.2C9H13N.C9H15N.C8H14F2O.C8H14N2.C8H12N2.C8H13N.C8H16O.C7H12N2.C7H13NO.C7H11NS.C7H14O.3C7H16O.CO2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)15-9-7-13(8-9)10(14)16-12(4,5)6;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-9(6-7-11-12)10(3,4)5;1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)9-4-8(7-12)5-11-6-9;1-10(2,3)8-5-6-11-7-9(8)12-4;1-8-5-9(7-11-6-8)10(2,3)4;1-10(2,3)6-4-9-5-7-11-8-9;1-10(2,3)7-6-9-5-4-8-11-9;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-8(10)11-6-7;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-10-4-6-11-7-5-10;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9(7-10)5-4-6-9;1-7(2,3)11-5-6-4-8(6,9)10;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-9-6-10-5-7;1-7(2,3)8(9-4)5-6-8;1-8(2,3)9-6-7-4-5-7;1-7(2,3)6-4-8-9-5-6;1-6(8-5)9-7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)8-6-4-5-6;3*1-6(2)8-7(3,4)5;2-1-3/h7-10H2,1-6H3;9H,7-8H2,1-6H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;5-9H2,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5,7-8H,4,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;2*4-6H,1-3H3;6H,1-5H3;4-8H2,1-3H3;1-5H3;2*4-7H,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H,1-3H3,(H,8,9);6H,1-4H3;4-5H,1-3H3;6H,4-5H2,1-3H3;3*6H,1-5H3;
InChIKeySQYUGKRQDUKUDI-UHFFFAOYSA-N
MW4496.90 g/mol
LogP67.32
Rot. Bonds22

About 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)

1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane) (PubChem CID 160912423) has the molecular formula C266H466F4N30O19S and a molecular weight of 4496.90 g/mol. Its IUPAC name is 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane).

Molecular Properties

Compound Name1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)
PubChem CID160912423
Molecular FormulaC266H466F4N30O19S
Molecular Weight4496.90 g/mol
Exact Mass4493.61
IUPAC Name1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)
SMILESCC(C)(C)C1(C#N)CCC1.CC(C)(C)CCc1ccco1.CC(C)(C)CCc1ccoc1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)OC(=O)N1CC(OC(C)(C)C)C1.CC(C)(C)OC1CC1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CC1(F)F.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncc(CO)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncs1.CC(C)OC(C)(C)C.CC(C)OC(C)(C)C.CC(C)OC(C)(C)C.CC(C)n1nccc1C(C)(C)C.CN1CCN(CC(C)(C)C)CC1.COCCn1cc(C(C)(C)C)cn1.COc1cnccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1cncc(C(C)(C)C)c1.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.O=C=O.[C-]#[N+]C(C)OC(C)(C)C.[C-]#[N+]C1(C(C)(C)C)CC1
InChIInChI=1S/C12H26N2.C12H23NO3.C10H18N2O.C10H18N2.C10H22N2.2C10H15NO.C10H15N.2C10H16O.2C9H12FN.C9H16N2.C9H19NO.C9H15NO.2C9H13N.C9H15N.C8H14F2O.C8H14N2.C8H12N2.C8H13N.C8H16O.C7H12N2.C7H13NO.C7H11NS.C7H14O.3C7H16O.CO2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)15-9-7-13(8-9)10(14)16-12(4,5)6;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-9(6-7-11-12)10(3,4)5;1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)9-4-8(7-12)5-11-6-9;1-10(2,3)8-5-6-11-7-9(8)12-4;1-8-5-9(7-11-6-8)10(2,3)4;1-10(2,3)6-4-9-5-7-11-8-9;1-10(2,3)7-6-9-5-4-8-11-9;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-8(10)11-6-7;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-10-4-6-11-7-5-10;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9(7-10)5-4-6-9;1-7(2,3)11-5-6-4-8(6,9)10;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-9-6-10-5-7;1-7(2,3)8(9-4)5-6-8;1-8(2,3)9-6-7-4-5-7;1-7(2,3)6-4-8-9-5-6;1-6(8-5)9-7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)8-6-4-5-6;3*1-6(2)8-7(3,4)5;2-1-3/h7-10H2,1-6H3;9H,7-8H2,1-6H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;5-9H2,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5,7-8H,4,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;2*4-6H,1-3H3;6H,1-5H3;4-8H2,1-3H3;1-5H3;2*4-7H,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H,1-3H3,(H,8,9);6H,1-4H3;4-5H,1-3H3;6H,4-5H2,1-3H3;3*6H,1-5H3;
InChIKeySQYUGKRQDUKUDI-UHFFFAOYSA-N
XLogP67.32
TPSA515.32 Ų
H-Bond Donors2
H-Bond Acceptors46
Rotatable Bonds22
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004496.90
LogP ≤ 567.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1046

Analyze 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)?
The IUPAC name of 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane) (CID 160912423) is 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane).
What is the SMILES notation for 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)?
The canonical SMILES for 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane) is CC(C)(C)C1(C#N)CCC1.CC(C)(C)CCc1ccco1.CC(C)(C)CCc1ccoc1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)OC(=O)N1CC(OC(C)(C)C)C1.CC(C)(C)OC1CC1.CC(C)(C)OCC1CC1.CC(C)(C)OCC1CC1(F)F.CC(C)(C)c1ccc(F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cncc(CO)c1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncs1.CC(C)OC(C)(C)C.CC(C)OC(C)(C)C.CC(C)OC(C)(C)C.CC(C)n1nccc1C(C)(C)C.CN1CCN(CC(C)(C)C)CC1.COCCn1cc(C(C)(C)C)cn1.COc1cnccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1cncc(C(C)(C)C)c1.Cc1noc(C)c1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.O=C=O.[C-]#[N+]C(C)OC(C)(C)C.[C-]#[N+]C1(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)?
The InChIKey is SQYUGKRQDUKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C12H23NO3.C10H18N2O.C10H18N2.C10H22N2.2C10H15NO.C10H15N.2C10H16O.2C9H12FN.C9H16N2.C9H19NO.C9H15NO.2C9H13N.C9H15N.C8H14F2O.C8H14N2.C8H12N2.C8H13N.C8H16O.C7H12N2.C7H13NO.C7H11NS.C7H14O.3C7H16O.CO2/c1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)15-9-7-13(8-9)10(14)16-12(4,5)6;1-10(2,3)9-7-11-12(8-9)5-6-13-4;1-8(2)12-9(6-7-11-12)10(3,4)5;1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)9-4-8(7-12)5-11-6-9;1-10(2,3)8-5-6-11-7-9(8)12-4;1-8-5-9(7-11-6-8)10(2,3)4;1-10(2,3)6-4-9-5-7-11-8-9;1-10(2,3)7-6-9-5-4-8-11-9;1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)7-4-5-8(10)11-6-7;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-10-4-6-11-7-5-10;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9(7-10)5-4-6-9;1-7(2,3)11-5-6-4-8(6,9)10;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-4-9-6-10-5-7;1-7(2,3)8(9-4)5-6-8;1-8(2,3)9-6-7-4-5-7;1-7(2,3)6-4-8-9-5-6;1-6(8-5)9-7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)8-6-4-5-6;3*1-6(2)8-7(3,4)5;2-1-3/h7-10H2,1-6H3;9H,7-8H2,1-6H3;7-8H,5-6H2,1-4H3;6-8H,1-5H3;5-9H2,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5,7-8H,4,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;2*4-6H,1-3H3;6H,1-5H3;4-8H2,1-3H3;1-5H3;2*4-7H,1-3H3;4-6H2,1-3H3;6H,4-5H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;5-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H,1-3H3,(H,8,9);6H,1-4H3;4-5H,1-3H3;6H,4-5H2,1-3H3;3*6H,1-5H3;.
What are the key properties of 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane)?
1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane) has a molecular weight of 4496.90 g/mol, XLogP of 67.32, 22 rotatable bonds, 2 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclobutane-1-carbonitrile;4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;1-tert-butyl-1-isocyanocyclopropane;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-3-methoxypyridine;tert-butyl 3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxylate;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methylpyridine;5-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;(5-tert-butyl-3-pyridinyl)methanol;5-tert-butylpyrimidine;5-tert-butyl-1,3-thiazole;carbon dioxide;1,4-ditert-butylpiperazine;1,1-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane;2-(3,3-dimethylbutyl)furan;3-(3,3-dimethylbutyl)furan;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;2-(1-isocyanoethoxy)-2-methylpropane;(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane;tris(2-methyl-2-propan-2-yloxypropane) is sourced from PubChem (CID 160912423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).