tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane

C217H369N17O4S2 — CID 159278177

IUPACtert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1nccc1C(C)(C)C
InChIInChI=1S/2C13H15N.C12H15N.C11H13NO.C11H16.2C10H15N.C10H14O.C10H14.3C9H13N.C8H14N2.2C8H13N.2C7H11NO.2C7H11NS.19C2H6/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;19*1-2/h2*4-9H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;5-6H,1-4H3;4-5H,6H2,1-3H3;4,6H,5H2,1-3H3;4*4-5H,1-3H3;19*1-2H3
InChIKeyKYOPZEYYRQOIPX-UHFFFAOYSA-N
MW3344.59 g/mol
LogP69.25
Rot. Bonds3

About tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane

tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane (PubChem CID 159278177) has the molecular formula C217H369N17O4S2 and a molecular weight of 3344.59 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane
PubChem CID159278177
Molecular FormulaC217H369N17O4S2
Molecular Weight3344.59 g/mol
Exact Mass3341.86
IUPAC Nametert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1nccc1C(C)(C)C
InChIInChI=1S/2C13H15N.C12H15N.C11H13NO.C11H16.2C10H15N.C10H14O.C10H14.3C9H13N.C8H14N2.2C8H13N.2C7H11NO.2C7H11NS.19C2H6/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;19*1-2/h2*4-9H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;5-6H,1-4H3;4-5H,6H2,1-3H3;4,6H,5H2,1-3H3;4*4-5H,1-3H3;19*1-2H3
InChIKeyKYOPZEYYRQOIPX-UHFFFAOYSA-N
XLogP69.25
TPSA266.07 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds3
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003344.59
LogP ≤ 569.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane with MolForge

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Related Compounds

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 162126941
2-[3-(1,3-Benzothiazol-2-yl)-2-(1,2-benzoxazol-3-yl)-4-cinnolin-3-yl-6-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-4-(1,2-thiazol-3-yl)cyclohexa-1,5-dien-1-yl]-1,3-benzoxazole
CID 141373171
1,2-Benzothiazole;2,1-benzothiazole;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;nonakis(2-methylpropane);morpholine;oxane;piperazine;piperidine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
CID 157053936
2,3-Ditert-butyl-1-benzofuran;4,5-ditert-butyl-2,1-benzothiazole;5,6-ditert-butyl-1,2-benzothiazole;5,6-ditert-butyl-1,3-benzothiazole;2,3-ditert-butyl-1-benzothiophene;4,5-ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-1,3-benzoxazole;5,6-ditert-butyl-2,1-benzoxazole;2,3-ditert-butylfuro[3,4-b]pyridine;5,6-ditert-butylfuro[2,3-b]pyridine;5,6-ditert-butylfuro[3,2-b]pyridine;4,5-ditert-butylfuro[2,3-c]pyridine;6,7-ditert-butylfuro[3,4-c]pyridine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;4,5-ditert-butylthieno[2,3-b]pyridine;6,7-ditert-butylthieno[3,2-b]pyridine;4,5-ditert-butylthieno[2,3-c]pyridine;5,6-ditert-butyltriazolo[1,5-a]pyridine
CID 157057682
1,2-benzothiazole;2,1-benzothiazole;1,2-benzoxazole;2,1-benzoxazole;cyclohexane;1H-indazole;hexakis(2-methylpropane);2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
CID 157108600
1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;ethane;4H-imidazole;1H-indene;3H-indole;oxadiazole;3H-pyrazole;thiadiazole
CID 157108850
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole
CID 157181127
Ethane;2-propan-2-yl-1,3-benzoselenazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole
CID 157191149
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
3-Tert-butyl-1,3-benzothiazol-3-ium;3-tert-butyl-1,3-benzoxazol-3-ium;4-tert-butylfuro[3,2-b]pyridin-4-ium;7-tert-butylfuro[2,3-b]pyridin-7-ium;5-tert-butylfuro[3,2-c]pyridin-5-ium;6-tert-butylfuro[2,3-c]pyridin-6-ium;2-tert-butylisoquinolin-2-ium;2-tert-butyl-1,2-oxazol-2-ium;3-tert-butyl-1,3-oxazol-3-ium;bis(1-tert-butylpyrazin-1-ium);bis(1-tert-butylpyridin-1-ium);1-tert-butylpyrimidin-1-ium;1-tert-butylquinolin-1-ium;1-tert-butyl-1,2,4,5-tetrazin-1-ium;2-tert-butyl-1,2-thiazol-2-ium;3-tert-butyl-1,3-thiazol-3-ium;1,3-ditert-butylbenzimidazol-3-ium;1,3-ditert-butylimidazol-1-ium;1,2-ditert-butylpyrazol-2-ium;1,2-ditert-butyltriazol-1-ium;methane
CID 157242376
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-indene;3H-indole;1H-isoindole;3H-pyrazolo[4,3-b]pyridine;pyridine;quinoline;1,2,4-thiadiazole;thieno[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157251160
2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157259763

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane?
The IUPAC name of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane (CID 159278177) is tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CC=CCC1=O.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnoc1.CC(C)(C)c1cnsc1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.Cn1nccc1C(C)(C)C.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane?
The InChIKey is KYOPZEYYRQOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.C12H15N.C11H13NO.C11H16.2C10H15N.C10H14O.C10H14.3C9H13N.C8H14N2.2C8H13N.2C7H11NO.2C7H11NS.19C2H6/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-6-9-10(7)4;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;19*1-2/h2*4-9H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-6H,7H2,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;5-6H,1-4H3;4-5H,6H2,1-3H3;4,6H,5H2,1-3H3;4*4-5H,1-3H3;19*1-2H3.
What are the key properties of tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane?
tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane has a molecular weight of 3344.59 g/mol, XLogP of 69.25, 3 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclohexa-2,4-dien-1-one;2-tert-butyl-3H-indole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;3-tert-butylquinoline;4-tert-butylquinoline;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2-thiazole;2,2-dimethylpropylbenzene;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;ethane is sourced from PubChem (CID 159278177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).