1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane

C306H486F4N8O5S2 — CID 158150156

IUPAC1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane
SMILESCC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CC1.CC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1COC1.CC(C)(C)CC#N.CC(C)(C)CC(F)(F)F.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1.CC(c1ccccc1)C(C)(C)C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cn1ccc2c(C(C)(C)C)cccc21.Cn1cncc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H18N2.C14H24.C14H20.C13H17N.C12H14O.C12H14S.3C12H18.3C11H16.C11H22.C10H13F.3C10H15N.C10H20O.C10H20.C10H14.C9H13N.C9H18O.C9H18.C8H16O.C8H12S.C8H16.C7H14O.C7H14.C6H11F3.C6H11N/c1-14(2,3)12-7-5-6-11(8-12)13-9-15-10-16(13)4;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-10-5-7-11(8-6-10)9-12(2,3)4;1-10(12(2,3)4)11-8-6-5-7-9-11;1-9-6-5-7-10(8-9)11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;1-11(2,3)10-8-6-4-5-7-9-10;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-6;1-5(2,3)4-6(7,8)9;1-6(2,3)4-5-7/h5-10H,1-4H3;10-12H,4-9H2,1-3H3;4-5,7,9,13H,6,8,10H2,1-3H3;5-9H,1-4H3;2*4-8H,1-3H3;2*5-8H,9H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3;2*4-8H,9H2,1-3H3;10H,4-9H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;4H2,1-3H3;4H2,1-3H3
InChIKeyFUZUIASAGPMUTL-UHFFFAOYSA-N
MW4497.43 g/mol
LogP93.43
Rot. Bonds8

About 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane

1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane (PubChem CID 158150156) has the molecular formula C306H486F4N8O5S2 and a molecular weight of 4497.43 g/mol. Its IUPAC name is 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane
PubChem CID158150156
Molecular FormulaC306H486F4N8O5S2
Molecular Weight4497.43 g/mol
Exact Mass4493.74
IUPAC Name1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane
SMILESCC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CC1.CC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1COC1.CC(C)(C)CC#N.CC(C)(C)CC(F)(F)F.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1.CC(c1ccccc1)C(C)(C)C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cn1ccc2c(C(C)(C)C)cccc21.Cn1cncc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C14H18N2.C14H24.C14H20.C13H17N.C12H14O.C12H14S.3C12H18.3C11H16.C11H22.C10H13F.3C10H15N.C10H20O.C10H20.C10H14.C9H13N.C9H18O.C9H18.C8H16O.C8H12S.C8H16.C7H14O.C7H14.C6H11F3.C6H11N/c1-14(2,3)12-7-5-6-11(8-12)13-9-15-10-16(13)4;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-10-5-7-11(8-6-10)9-12(2,3)4;1-10(12(2,3)4)11-8-6-5-7-9-11;1-9-6-5-7-10(8-9)11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;1-11(2,3)10-8-6-4-5-7-9-10;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-6;1-5(2,3)4-6(7,8)9;1-6(2,3)4-5-7/h5-10H,1-4H3;10-12H,4-9H2,1-3H3;4-5,7,9,13H,6,8,10H2,1-3H3;5-9H,1-4H3;2*4-8H,1-3H3;2*5-8H,9H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3;2*4-8H,9H2,1-3H3;10H,4-9H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;4H2,1-3H3;4H2,1-3H3
InChIKeyFUZUIASAGPMUTL-UHFFFAOYSA-N
XLogP93.43
TPSA159.16 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms325
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004497.43
LogP ≤ 593.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane?
The IUPAC name of 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane (CID 158150156) is 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane.
What is the SMILES notation for 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane?
The canonical SMILES for 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane is CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C1CC1.CC(C)(C)C1CCC(O)CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCCCC1.CC(C)(C)C1CCCc2ccccc21.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)C1COC1.CC(C)(C)CC#N.CC(C)(C)CC(F)(F)F.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc2occc12.CC(C)(C)c1cccc2sccc12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1.CC(c1ccccc1)C(C)(C)C.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(CC(C)(C)C)cc1.Cc1ccc(CC(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cn1ccc2c(C(C)(C)C)cccc21.Cn1cncc1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane?
The InChIKey is FUZUIASAGPMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C14H24.C14H20.C13H17N.C12H14O.C12H14S.3C12H18.3C11H16.C11H22.C10H13F.3C10H15N.C10H20O.C10H20.C10H14.C9H13N.C9H18O.C9H18.C8H16O.C8H12S.C8H16.C7H14O.C7H14.C6H11F3.C6H11N/c1-14(2,3)12-7-5-6-11(8-12)13-9-15-10-16(13)4;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;2*1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-10-5-7-11(8-6-10)9-12(2,3)4;1-10(12(2,3)4)11-8-6-5-7-9-11;1-9-6-5-7-10(8-9)11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;1-11(2,3)10-8-6-4-5-7-9-10;1-10(2,3)8-5-4-6-9(11)7-8;1-8-5-6-9(7-11-8)10(2,3)4;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)8-4-6-9(11)7-5-8;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-8-5-6;1-7(2,3)6-4-5-6;1-5(2,3)4-6(7,8)9;1-6(2,3)4-5-7/h5-10H,1-4H3;10-12H,4-9H2,1-3H3;4-5,7,9,13H,6,8,10H2,1-3H3;5-9H,1-4H3;2*4-8H,1-3H3;2*5-8H,9H2,1-4H3;5-10H,1-4H3;5-8H,1-4H3;2*4-8H,9H2,1-3H3;10H,4-9H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;8-9,11H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;6H,4-5H2,1-3H3;4H2,1-3H3;4H2,1-3H3.
What are the key properties of 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane?
1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane has a molecular weight of 4497.43 g/mol, XLogP of 93.43, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyladamantane;tert-butylbenzene;4-tert-butyl-1-benzofuran;4-tert-butyl-1-benzothiophene;tert-butylcyclobutane;tert-butylcycloheptane;tert-butylcyclohexane;4-tert-butylcyclohexan-1-ol;tert-butylcyclopentane;tert-butylcyclopropane;1-tert-butyl-3-fluorobenzene;1-tert-butyl-3-methylbenzene;4-tert-butyl-1-methylindole;5-tert-butyl-2-methylpyridine;4-tert-butyloxane;3-tert-butyloxetane;3-tert-butyloxolane;5-(3-tert-butylphenyl)-1-methylimidazole;3-tert-butylpyridine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butylthiophene;3,3-dimethylbutanenitrile;3,3-dimethylbutan-2-ylbenzene;bis(2,2-dimethylpropylbenzene);bis(1-(2,2-dimethylpropyl)-4-methylbenzene);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1,1,1-trifluoro-3,3-dimethylbutane is sourced from PubChem (CID 158150156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).