4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane

C205H325F6N17O7S — CID 158561895

IUPAC4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane
SMILESCC.CC(=O)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCCC1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn2cccc(C(F)(F)F)c2n1.CC(C)(C)c1noc(C2CC2)n1.CC(C)c1ncc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.CC1=NC(C(C)(C)C)=CC1.CC1CCC(C(C)(C)C)CC1.CC1CCCC(C(C)(C)C)C1.COc1ccccc1C(C)(C)C.C[C@H]1CCO[C@@H](C(C)(C)C)C1.Cc1ccc(C(C)(C)C)cc1.Cc1noc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C13H18O.C12H13F3N2.C11H13F3.C11H18N2.C11H13N.C11H16O2S.C11H16O.C11H22.C11H16.C11H22.C10H18N2.C10H15N.C10H20O.C9H14N2O.C9H15N.2C9H13N.C9H18.C8H14N2.C7H12N2O.C2H6/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4;1-11(2,3)9-7-17-6-4-5-8(10(17)16-9)12(13,14)15;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8(2)10-12-6-9(7-13-10)11(3,4)5;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-4-6-9(11)7-5-8;1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)8-10-7(12-11-8)6-4-5-6;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-6-10(7)4;1-5-8-6(10-9-5)7(2,3)4;1-2/h5-8H,9H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;6-8H,1-5H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;6-8H,1-5H3;4-7H,11H2,1-3H3;8-9H,5-7H2,1-4H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;1-4H3;1-2H3/t;;;;;;;;;;;;8-,9+;;;;;;;;/m............0......../s1
InChIKeyHQZISRGCYBBUSL-JAUWBNPASA-N
MW3286.02 g/mol
LogP58.51
Rot. Bonds7

About 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane

4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane (PubChem CID 158561895) has the molecular formula C205H325F6N17O7S and a molecular weight of 3286.02 g/mol. Its IUPAC name is 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane.

Molecular Properties

Compound Name4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane
PubChem CID158561895
Molecular FormulaC205H325F6N17O7S
Molecular Weight3286.02 g/mol
Exact Mass3283.52
IUPAC Name4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane
SMILESCC.CC(=O)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCCC1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn2cccc(C(F)(F)F)c2n1.CC(C)(C)c1noc(C2CC2)n1.CC(C)c1ncc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.CC1=NC(C(C)(C)C)=CC1.CC1CCC(C(C)(C)C)CC1.CC1CCCC(C(C)(C)C)C1.COc1ccccc1C(C)(C)C.C[C@H]1CCO[C@@H](C(C)(C)C)C1.Cc1ccc(C(C)(C)C)cc1.Cc1noc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C13H18O.C12H13F3N2.C11H13F3.C11H18N2.C11H13N.C11H16O2S.C11H16O.C11H22.C11H16.C11H22.C10H18N2.C10H15N.C10H20O.C9H14N2O.C9H15N.2C9H13N.C9H18.C8H14N2.C7H12N2O.C2H6/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4;1-11(2,3)9-7-17-6-4-5-8(10(17)16-9)12(13,14)15;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8(2)10-12-6-9(7-13-10)11(3,4)5;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-4-6-9(11)7-5-8;1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)8-10-7(12-11-8)6-4-5-6;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-6-10(7)4;1-5-8-6(10-9-5)7(2,3)4;1-2/h5-8H,9H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;6-8H,1-5H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;6-8H,1-5H3;4-7H,11H2,1-3H3;8-9H,5-7H2,1-4H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;1-4H3;1-2H3/t;;;;;;;;;;;;8-,9+;;;;;;;;/m............0......../s1
InChIKeyHQZISRGCYBBUSL-JAUWBNPASA-N
XLogP58.51
TPSA314.18 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003286.02
LogP ≤ 558.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 157252311

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane?
The IUPAC name of 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane (CID 158561895) is 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane.
What is the SMILES notation for 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane?
The canonical SMILES for 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane is CC.CC(=O)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)C1CCCC1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(N)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn2cccc(C(F)(F)F)c2n1.CC(C)(C)c1noc(C2CC2)n1.CC(C)c1ncc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.CC1=NC(C(C)(C)C)=CC1.CC1CCC(C(C)(C)C)CC1.CC1CCCC(C(C)(C)C)C1.COc1ccccc1C(C)(C)C.C[C@H]1CCO[C@@H](C(C)(C)C)C1.Cc1ccc(C(C)(C)C)cc1.Cc1noc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.
What is the InChIKey of 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane?
The InChIKey is HQZISRGCYBBUSL-JAUWBNPASA-N. The full InChI is InChI=1S/C13H18O.C12H13F3N2.C11H13F3.C11H18N2.C11H13N.C11H16O2S.C11H16O.C11H22.C11H16.C11H22.C10H18N2.C10H15N.C10H20O.C9H14N2O.C9H15N.2C9H13N.C9H18.C8H14N2.C7H12N2O.C2H6/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4;1-11(2,3)9-7-17-6-4-5-8(10(17)16-9)12(13,14)15;1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-8(2)10-12-6-9(7-13-10)11(3,4)5;1-11(2,3)10-6-4-9(8-12)5-7-10;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)12-4;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-4-6-9(11)7-5-8;1-8-5-6-11-9(7-8)10(2,3)4;1-9(2,3)8-10-7(12-11-8)6-4-5-6;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-6-10(7)4;1-5-8-6(10-9-5)7(2,3)4;1-2/h5-8H,9H2,1-4H3;4-7H,1-3H3;4-7H,1-3H3;6-8H,1-5H3;4-7H,1-3H3;5-8H,1-4H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;5-8H,1-4H3;9-10H,5-8H2,1-4H3;6-8H,1-5H3;4-7H,11H2,1-3H3;8-9H,5-7H2,1-4H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;2*4-7H,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;1-4H3;1-2H3/t;;;;;;;;;;;;8-,9+;;;;;;;;/m............0......../s1.
What are the key properties of 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane?
4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane has a molecular weight of 3286.02 g/mol, XLogP of 58.51, 7 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylaniline;4-tert-butylbenzonitrile;tert-butylcyclopentane;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-methylcyclohexane;1-tert-butyl-4-methylcyclohexane;2-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;5-tert-butyl-2-methyl-3H-pyrrole;1-tert-butyl-4-methylsulfonylbenzene;1-(4-tert-butylphenyl)propan-2-one;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;2-tert-butylpyridine;3-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;2-tert-butyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine;ethane is sourced from PubChem (CID 158561895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).