4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene

C165H258F5N23O10 — CID 158266410

IUPAC4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccn(C(F)F)n1.CC(C)(C)c1cnc(C2CC2)nc1.CC(C)(C)c1noc(C2CC2)n1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)no1.CC(C)c1ncc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1.COc1ccccc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.COc1nccc(C(C)(C)C)n1.C[C@H]1CCO[C@@H](C(C)(C)C)C1.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H13F3.C11H16N2.C11H18N2.C11H13N.2C11H16O.C10H18N2.C10H15NO.C10H17NO.C10H20O.3C9H14N2O.C9H16N2O.C8H12F2N2.C8H14N2.C7H12N2O/c1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;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(12-4)8-6-9;1-11(2,3)9-7-5-6-8-10(9)12-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-5-9(12-4)7-11-6-8;1-7(2)9-11-8(6-12-9)10(3,4)5;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;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-10-8(11-7)12-4;1-6(2)7-10-8(11-12-7)9(3,4)5;1-8(2,3)6-4-5-12(11-6)7(9)10;1-8(2,3)7-5-9-10(4)6-7;1-5-8-6(10-9-5)7(2,3)4/h4-7H,1-3H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;6-7H,1-5H3;8-9H,5-7H2,1-4H3;6H,4-5H2,1-3H3;2*5-6H,1-4H3;6H,1-5H3;4-5,7H,1-3H3;5-6H,1-4H3;1-4H3/t;;;;;;;;;8-,9+;;;;;;;/m.........0......./s1
InChIKeyGIMMNVDMYXGXMD-ICSIOYECSA-N
MW2819.02 g/mol
LogP43.75
Rot. Bonds12

About 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene

4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene (PubChem CID 158266410) has the molecular formula C165H258F5N23O10 and a molecular weight of 2819.02 g/mol. Its IUPAC name is 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene
PubChem CID158266410
Molecular FormulaC165H258F5N23O10
Molecular Weight2819.02 g/mol
Exact Mass2817.03
IUPAC Name4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccn(C(F)F)n1.CC(C)(C)c1cnc(C2CC2)nc1.CC(C)(C)c1noc(C2CC2)n1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)no1.CC(C)c1ncc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1.COc1ccccc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.COc1nccc(C(C)(C)C)n1.C[C@H]1CCO[C@@H](C(C)(C)C)C1.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H13F3.C11H16N2.C11H18N2.C11H13N.2C11H16O.C10H18N2.C10H15NO.C10H17NO.C10H20O.3C9H14N2O.C9H16N2O.C8H12F2N2.C8H14N2.C7H12N2O/c1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;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(12-4)8-6-9;1-11(2,3)9-7-5-6-8-10(9)12-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-5-9(12-4)7-11-6-8;1-7(2)9-11-8(6-12-9)10(3,4)5;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;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-10-8(11-7)12-4;1-6(2)7-10-8(11-12-7)9(3,4)5;1-8(2,3)6-4-5-12(11-6)7(9)10;1-8(2,3)7-5-9-10(4)6-7;1-5-8-6(10-9-5)7(2,3)4/h4-7H,1-3H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;6-7H,1-5H3;8-9H,5-7H2,1-4H3;6H,4-5H2,1-3H3;2*5-6H,1-4H3;6H,1-5H3;4-5,7H,1-3H3;5-6H,1-4H3;1-4H3/t;;;;;;;;;8-,9+;;;;;;;/m.........0......./s1
InChIKeyGIMMNVDMYXGXMD-ICSIOYECSA-N
XLogP43.75
TPSA391.43 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds12
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002819.02
LogP ≤ 543.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

CID 157665958
CID 157665958
3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159470779
3-Tert-butyl-1-(2,2-difluoroethyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;7-tert-butyl-2,3-dihydro-1-benzofuran;bis(2-tert-butyl-6-methoxypyridine);4-tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-propan-2-ylpyrazole;1-(6-tert-butyl-2-pyridinyl)cyclobutan-1-ol;4-(6-tert-butyl-2-pyridinyl)morpholine;3-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;2-tert-butyl-6-(trifluoromethyl)pyrazine
CID 164963497

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene (CID 158266410) is 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene is CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccccc1C(F)(F)F.CC(C)(C)c1ccn(C(F)F)n1.CC(C)(C)c1cnc(C2CC2)nc1.CC(C)(C)c1noc(C2CC2)n1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)no1.CC(C)c1ncc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cc1.COc1ccccc1C(C)(C)C.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.COc1nccc(C(C)(C)C)n1.C[C@H]1CCO[C@@H](C(C)(C)C)C1.Cc1noc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene?
The InChIKey is GIMMNVDMYXGXMD-ICSIOYECSA-N. The full InChI is InChI=1S/C11H13F3.C11H16N2.C11H18N2.C11H13N.2C11H16O.C10H18N2.C10H15NO.C10H17NO.C10H20O.3C9H14N2O.C9H16N2O.C8H12F2N2.C8H14N2.C7H12N2O/c1-10(2,3)8-6-4-5-7-9(8)11(12,13)14;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;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(12-4)8-6-9;1-11(2,3)9-7-5-6-8-10(9)12-4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-10(2,3)8-5-9(12-4)7-11-6-8;1-7(2)9-11-8(6-12-9)10(3,4)5;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;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-10-8(11-7)12-4;1-6(2)7-10-8(11-12-7)9(3,4)5;1-8(2,3)6-4-5-12(11-6)7(9)10;1-8(2,3)7-5-9-10(4)6-7;1-5-8-6(10-9-5)7(2,3)4/h4-7H,1-3H3;6-8H,4-5H2,1-3H3;6-8H,1-5H3;4-7H,1-3H3;2*5-8H,1-4H3;6-8H,1-5H3;5-7H,1-4H3;6-7H,1-5H3;8-9H,5-7H2,1-4H3;6H,4-5H2,1-3H3;2*5-6H,1-4H3;6H,1-5H3;4-5,7H,1-3H3;5-6H,1-4H3;1-4H3/t;;;;;;;;;8-,9+;;;;;;;/m.........0......./s1.
What are the key properties of 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene?
4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene has a molecular weight of 2819.02 g/mol, XLogP of 43.75, 12 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158266410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).