tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate

C175H277ClN14O4S4 — CID 158861855

IUPACtert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate
SMILESCC(C)(C)CCN1CCCCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.CN1CCC(C(C)(C)C)CC1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COC(=O)c1ccc(C(C)(C)C)cc1.C[C@H](c1ccccc1)C(C)(C)C.Cc1ccc([C@@H](C)C(C)(C)C)cn1.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H24N2.C12H19N.C12H16O2.C12H18.C11H23N.2C11H16.C10H13Cl.C10H21N.C10H15N.C10H14.C9H14S.C8H14N2.2C7H11NO.2C7H11NS.C6H10N2S/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-9-6-7-11(8-13-9)10(2)12(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)7-10-12-8-5-4-6-9-12;2*1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-6-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5/h5-8H,9-12H2,1-4H3;6-8,10H,1-5H3;5-8H,1-4H3;5-10H,1-4H3;4-10H2,1-3H3;2*4-8H,9H2,1-3H3;4-7H,1-3H3;9H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;2*5-6H,1-4H3;4*4-5H,1-3H3;4H,1-3H3/t;10-;;10-;;;;;;;;;;;;;;/m.1.1............../s1
InChIKeyJATHKTJDXLVFIJ-SCRRTKMZSA-N
MW2804.96 g/mol
LogP49.74
Rot. Bonds9

About tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate

tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate (PubChem CID 158861855) has the molecular formula C175H277ClN14O4S4 and a molecular weight of 2804.96 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate
PubChem CID158861855
Molecular FormulaC175H277ClN14O4S4
Molecular Weight2804.96 g/mol
Exact Mass2802.05
IUPAC Nametert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate
SMILESCC(C)(C)CCN1CCCCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.CN1CCC(C(C)(C)C)CC1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COC(=O)c1ccc(C(C)(C)C)cc1.C[C@H](c1ccccc1)C(C)(C)C.Cc1ccc([C@@H](C)C(C)(C)C)cn1.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C15H24N2.C12H19N.C12H16O2.C12H18.C11H23N.2C11H16.C10H13Cl.C10H21N.C10H15N.C10H14.C9H14S.C8H14N2.2C7H11NO.2C7H11NS.C6H10N2S/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-9-6-7-11(8-13-9)10(2)12(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)7-10-12-8-5-4-6-9-12;2*1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-6-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5/h5-8H,9-12H2,1-4H3;6-8,10H,1-5H3;5-8H,1-4H3;5-10H,1-4H3;4-10H2,1-3H3;2*4-8H,9H2,1-3H3;4-7H,1-3H3;9H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;2*5-6H,1-4H3;4*4-5H,1-3H3;4H,1-3H3/t;10-;;10-;;;;;;;;;;;;;;/m.1.1............../s1
InChIKeyJATHKTJDXLVFIJ-SCRRTKMZSA-N
XLogP49.74
TPSA186.48 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002804.96
LogP ≤ 549.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
CID 157349581
4-tert-butyl-1-(2-chlorophenyl)piperidine;1-(3-tert-butylcyclohexyl)piperidine;3-tert-butyl-1-cyclohexylpiperidine;3-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;bis(4-tert-butyl-1-methylpyrazole);2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1-phenylpiperidine;4-tert-butyl-1-phenylpiperidine;4-tert-butyl-1H-pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157488957
tert-butylbenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;3-(4-tert-butylphenyl)-1H-pyrrole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;methane;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
CID 160020096
tert-butylbenzene;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,3-oxazole;3-(4-tert-butylphenyl)-1H-pyrrole;5-tert-butyl-2-propan-2-ylpyridine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;carbon dioxide;[(2S)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethylbutan-2-ylbenzene;1-(3,3-dimethylbutyl)piperidine;1-(4-ethylphenyl)-4-methylpiperazine;methyl 4-tert-butylbenzoate;2,3,3-trimethylbutylbenzene
CID 161013005
Bis(benzonitrile);octadecakis(carbon dioxide);2-methoxypyridine;1-methylpyrazole;bis(2-methylpyridine);2-methyl-1,3-thiazole;1,2-oxazole;1,3-oxazole;bis(5-phenyl-1,3-oxazole);2-phenylpyridine;2-propan-2-yl-1,3-thiazole;bis(pyridine);1,2-thiazole;1,3-thiazole;5-thiophen-2-yl-1,3-oxazole
CID 161516171

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate?
The IUPAC name of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate (CID 158861855) is tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate is CC(C)(C)CCN1CCCCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccnc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1Cl.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.CN1CCC(C(C)(C)C)CC1.CN1CCN(c2ccc(C(C)(C)C)cc2)CC1.COC(=O)c1ccc(C(C)(C)C)cc1.C[C@H](c1ccccc1)C(C)(C)C.Cc1ccc([C@@H](C)C(C)(C)C)cn1.Cc1csc(C(C)(C)C)c1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate?
The InChIKey is JATHKTJDXLVFIJ-SCRRTKMZSA-N. The full InChI is InChI=1S/C15H24N2.C12H19N.C12H16O2.C12H18.C11H23N.2C11H16.C10H13Cl.C10H21N.C10H15N.C10H14.C9H14S.C8H14N2.2C7H11NO.2C7H11NS.C6H10N2S/c1-15(2,3)13-5-7-14(8-6-13)17-11-9-16(4)10-12-17;1-9-6-7-11(8-13-9)10(2)12(3,4)5;1-12(2,3)10-7-5-9(6-8-10)11(13)14-4;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)7-10-12-8-5-4-6-9-12;2*1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)9-7-5-4-6-8-9;1-7-5-8(10-6-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5/h5-8H,9-12H2,1-4H3;6-8,10H,1-5H3;5-8H,1-4H3;5-10H,1-4H3;4-10H2,1-3H3;2*4-8H,9H2,1-3H3;4-7H,1-3H3;9H,5-8H2,1-4H3;4-6,8H,7H2,1-3H3;4-8H,1-3H3;2*5-6H,1-4H3;4*4-5H,1-3H3;4H,1-3H3/t;10-;;10-;;;;;;;;;;;;;;/m.1.1............../s1.
What are the key properties of tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate?
tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate has a molecular weight of 2804.96 g/mol, XLogP of 49.74, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-2-chlorobenzene;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methylthiophene;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-(4-tert-butylphenyl)-4-methylpiperazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;[(2S)-3,3-dimethylbutan-2-yl]benzene;5-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpyridine;1-(3,3-dimethylbutyl)piperidine;bis(2,2-dimethylpropylbenzene);3-(2,2-dimethylpropyl)pyridine;methyl 4-tert-butylbenzoate is sourced from PubChem (CID 158861855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).