tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane

C163H239FN12O6S — CID 157105377

IUPACtert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane
SMILESC.C=C1C=CC(C(C)(C)C)=CN1.C=C1C=NC(C(C)(C)C)=CN1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C11H17NO2S.C11H13N.C11H16O.2C11H16.C10H13F.2C10H15NO.4C10H15N.C10H14.C9H14N2.C9H13NO.C9H13N.CH4/c1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;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;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4;3*1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-6-10-7-8;/h5-7H,8H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-7,11H,1H2,2-4H3;3*5-7H,1-4H3;4-8H,1-3H3;5-6,10H,1H2,2-4H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;1H4
InChIKeyAGFUTWVQZJIISN-UHFFFAOYSA-N
MW2513.85 g/mol
LogP41.23
Rot. Bonds3

About tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane

tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane (PubChem CID 157105377) has the molecular formula C163H239FN12O6S and a molecular weight of 2513.85 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane
PubChem CID157105377
Molecular FormulaC163H239FN12O6S
Molecular Weight2513.85 g/mol
Exact Mass2511.85
IUPAC Nametert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane
SMILESC.C=C1C=CC(C(C)(C)C)=CN1.C=C1C=NC(C(C)(C)C)=CN1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C11H17NO2S.C11H13N.C11H16O.2C11H16.C10H13F.2C10H15NO.4C10H15N.C10H14.C9H14N2.C9H13NO.C9H13N.CH4/c1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;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;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4;3*1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-6-10-7-8;/h5-7H,8H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-7,11H,1H2,2-4H3;3*5-7H,1-4H3;4-8H,1-3H3;5-6,10H,1H2,2-4H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;1H4
InChIKeyAGFUTWVQZJIISN-UHFFFAOYSA-N
XLogP41.23
TPSA244.89 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds3
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002513.85
LogP ≤ 541.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane with MolForge

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Launch Full Analysis

Related Compounds

3-Tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 160656933
bis(tert-butylbenzene);1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;pentakis(2-tert-butyl-5-methylpyridine);tris(5-tert-butyl-2-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;bis(3-tert-butylpyridine);4-tert-butyl-1H-pyridin-2-one;1-(5-tert-butyl-2-pyridinyl)propan-2-one
CID 157165451
N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
CID 159461709
tert-butylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;tris(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyridine;tetrakis(2-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-1H-pyrazin-2-one;3-tert-butylpyridine;6-tert-butylpyridin-3-ol;4-tert-butyl-1H-pyridin-2-one
CID 161646325
tert-butylbenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;bis(1-tert-butyl-4-methylbenzene);5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one
CID 161891885

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane?
The IUPAC name of tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane (CID 157105377) is tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane.
What is the SMILES notation for tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane?
The canonical SMILES for tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane is C.C=C1C=CC(C(C)(C)C)=CN1.C=C1C=NC(C(C)(C)C)=CN1.CC(C)(C)c1cc[nH]c(=O)c1.CC(C)(C)c1ccc(C#N)cc1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.COc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)ccc1=O.Cn1ccc(C(C)(C)C)cc1=O.
What is the InChIKey of tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane?
The InChIKey is AGFUTWVQZJIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C11H13N.C11H16O.2C11H16.C10H13F.2C10H15NO.4C10H15N.C10H14.C9H14N2.C9H13NO.C9H13N.CH4/c1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;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;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-6-11(4)9(12)7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4;3*1-8-5-6-9(11-7-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-10-8(11)6-7;1-9(2,3)8-5-4-6-10-7-8;/h5-7H,8H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;2*5-8H,1-4H3;4-7H,1-3H3;2*5-7H,1-4H3;5-7,11H,1H2,2-4H3;3*5-7H,1-4H3;4-8H,1-3H3;5-6,10H,1H2,2-4H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3;1H4.
What are the key properties of tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane?
tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane has a molecular weight of 2513.85 g/mol, XLogP of 41.23, 3 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane is sourced from PubChem (CID 157105377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).