tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)

C111H194N6O2S3Y2-2 — CID 158337561

IUPACtert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1[c-]c2ccccc2[nH]1.CC(C)(C)c1[c-]c2ccccc2s1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.[Y].[Y]
InChIInChI=1S/C12H14N.C12H13S.C10H14.C9H13N.2C8H13N.C8H12O.C8H12S.C7H11NO.C7H11NS.10C2H6.2CH4.2Y/c2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;4*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;10*1-2;;;;/h4-7,13H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;10*1-2H3;2*1H4;;/q2*-1;;;;;;;;;;;;;;;;;;;;;;
InChIKeyJYIZDFLPQBJWMM-UHFFFAOYSA-N
MW1918.83 g/mol
LogP38.82
Rot. Bonds

About tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)

tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium) (PubChem CID 158337561) has the molecular formula C111H194N6O2S3Y2-2 and a molecular weight of 1918.83 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium).

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)
PubChem CID158337561
Molecular FormulaC111H194N6O2S3Y2-2
Molecular Weight1918.83 g/mol
Exact Mass1917.26
IUPAC Nametert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1[c-]c2ccccc2[nH]1.CC(C)(C)c1[c-]c2ccccc2s1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.[Y].[Y]
InChIInChI=1S/C12H14N.C12H13S.C10H14.C9H13N.2C8H13N.C8H12O.C8H12S.C7H11NO.C7H11NS.10C2H6.2CH4.2Y/c2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;4*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;10*1-2;;;;/h4-7,13H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;10*1-2H3;2*1H4;;/q2*-1;;;;;;;;;;;;;;;;;;;;;;
InChIKeyJYIZDFLPQBJWMM-UHFFFAOYSA-N
XLogP38.82
TPSA112.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001918.83
LogP ≤ 538.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium) with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3S)-3-propan-2-ylcyclopentan-1-amine;(3R)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine
CID 159211957
aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 157074292
bis(tert-butylbenzene);bis(1-tert-butylcyclopenta-1,3-diene);2-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylindole;3-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butylthiophene
CID 157219118
2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
CID 157241775
aniline;benzenesulfonamide;ethane;furan;1H-indole;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 157320512
2,3-Dimethylfuran;4,5-dimethyl-1,3-oxazole;2,3-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157401617
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157441369
2,4-Dimethyl-5-propan-2-yl-1,3-thiazole;3-fluoro-5-propan-2-ylpyridine;2-propan-2-ylfuran;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157483645
ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157532559
ethane;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157532914
benzene;1-benzofuran;1-benzothiophene;2,3-dihydrofuran;2,3-dihydrothiophene;2,2-dimethylindene-1,3-dione;ethane;1H-indene;1H-indole;methane;2-methyl-1,3-benzothiazole;1-methyl-2,3-dihydroindole;2-methylisoindole-1,3-dione;naphthalene;pyridine
CID 157606196
ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;10-oxatricyclo[5.2.1.02,6]decane;1,3-oxazole;pyridine;1H-pyrrole;7-thiabicyclo[2.2.1]heptane;10-thiatricyclo[5.2.1.02,6]decane;1,3-thiazole
CID 157670644

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)?
The IUPAC name of tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium) (CID 158337561) is tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium).
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium) is C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1[c-]c2ccccc2[nH]1.CC(C)(C)c1[c-]c2ccccc2s1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.[Y].[Y].
What is the InChIKey of tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)?
The InChIKey is JYIZDFLPQBJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N.C12H13S.C10H14.C9H13N.2C8H13N.C8H12O.C8H12S.C7H11NO.C7H11NS.10C2H6.2CH4.2Y/c2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-6-4-5-7-10-8;4*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-8-4-5-9-6;10*1-2;;;;/h4-7,13H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;2*4-6,9H,1-3H3;2*4-6H,1-3H3;2*4-5H,1-3H3;10*1-2H3;2*1H4;;/q2*-1;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium)?
tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium) has a molecular weight of 1918.83 g/mol, XLogP of 38.82, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-3H-1-benzothiophen-3-ide;2-tert-butyl-1,3-dihydroindol-3-ide;2-tert-butylfuran;2-tert-butyl-1,3-oxazole;2-tert-butylpyridine;bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane;methane;bis(yttrium) is sourced from PubChem (CID 158337561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).