ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene

C245H458N28O5S5 — CID 159743795

IUPACethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(CC)C1C=CC=C1.CCC(CC)C1C=CC=N1.CCC(CC)C1C=CN=C1.CCC(CC)C1C=CN=N1.CCC(CC)C1C=NC=N1.CCC(CC)C1C=NN=C1.CCC(CC)c1ccccc1.CCC(CC)c1ccccn1.CCC(CC)c1cccnc1.CCC(CC)c1cccs1.CCC(CC)c1ccncn1.CCC(CC)c1ccsc1.CCC(CC)c1cnccn1.CCC(CC)c1cncnc1.CCC(CC)c1cnco1.CCC(CC)c1cncs1.CCC(CC)c1cocn1.CCC(CC)c1cscn1.CCC(CC)c1ncccn1.CCC(CC)c1ncco1.CCC(CC)c1nccs1.CCC(CC)c1ncno1.CCC(CC)c1ncon1
InChIInChI=1S/C11H16.2C10H15N.C10H16.4C9H14N2.2C9H15N.2C9H14S.3C8H14N2.3C8H13NO.3C8H13NS.2C7H12N2O.23C2H6/c1-3-10(4-2)11-8-6-5-7-9-11;1-3-9(4-2)10-6-5-7-11-8-10;1-3-9(4-2)10-7-5-6-8-11-10;1-3-9(4-2)10-7-5-6-8-10;1-3-8(4-2)9-5-10-7-11-6-9;1-3-8(4-2)9-7-10-5-6-11-9;1-3-8(4-2)9-5-6-10-7-11-9;1-3-8(4-2)9-10-6-5-7-11-9;1-3-8(4-2)9-5-6-10-7-9;1-3-8(4-2)9-6-5-7-10-9;1-3-8(4-2)9-5-6-10-7-9;1-3-8(4-2)9-6-5-7-10-9;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-5-9-10-6-8;1-3-7(4-2)8-5-6-9-10-8;1-3-7(4-2)8-5-10-6-9-8;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-9-5-6-10-8;1-3-7(4-2)8-5-10-6-9-8;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-9-5-6-10-8;1-3-6(4-2)7-8-5-10-9-7;1-3-6(4-2)7-8-5-9-10-7;23*1-2/h5-10H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;4*5-8H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;5*5-8H,3-4H2,1-2H3;6*5-7H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3;23*1-2H3
InChIKeyNCUHKHQOZPKWJK-UHFFFAOYSA-N
MW4036.88 g/mol
LogP85.83
Rot. Bonds69

About ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene

ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene (PubChem CID 159743795) has the molecular formula C245H458N28O5S5 and a molecular weight of 4036.88 g/mol. Its IUPAC name is ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene.

Molecular Properties

Compound Nameethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene
PubChem CID159743795
Molecular FormulaC245H458N28O5S5
Molecular Weight4036.88 g/mol
Exact Mass4033.50
IUPAC Nameethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(CC)C1C=CC=C1.CCC(CC)C1C=CC=N1.CCC(CC)C1C=CN=C1.CCC(CC)C1C=CN=N1.CCC(CC)C1C=NC=N1.CCC(CC)C1C=NN=C1.CCC(CC)c1ccccc1.CCC(CC)c1ccccn1.CCC(CC)c1cccnc1.CCC(CC)c1cccs1.CCC(CC)c1ccncn1.CCC(CC)c1ccsc1.CCC(CC)c1cnccn1.CCC(CC)c1cncnc1.CCC(CC)c1cnco1.CCC(CC)c1cncs1.CCC(CC)c1cocn1.CCC(CC)c1cscn1.CCC(CC)c1ncccn1.CCC(CC)c1ncco1.CCC(CC)c1nccs1.CCC(CC)c1ncno1.CCC(CC)c1ncon1
InChIInChI=1S/C11H16.2C10H15N.C10H16.4C9H14N2.2C9H15N.2C9H14S.3C8H14N2.3C8H13NO.3C8H13NS.2C7H12N2O.23C2H6/c1-3-10(4-2)11-8-6-5-7-9-11;1-3-9(4-2)10-6-5-7-11-8-10;1-3-9(4-2)10-7-5-6-8-11-10;1-3-9(4-2)10-7-5-6-8-10;1-3-8(4-2)9-5-10-7-11-6-9;1-3-8(4-2)9-7-10-5-6-11-9;1-3-8(4-2)9-5-6-10-7-11-9;1-3-8(4-2)9-10-6-5-7-11-9;1-3-8(4-2)9-5-6-10-7-9;1-3-8(4-2)9-6-5-7-10-9;1-3-8(4-2)9-5-6-10-7-9;1-3-8(4-2)9-6-5-7-10-9;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-5-9-10-6-8;1-3-7(4-2)8-5-6-9-10-8;1-3-7(4-2)8-5-10-6-9-8;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-9-5-6-10-8;1-3-7(4-2)8-5-10-6-9-8;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-9-5-6-10-8;1-3-6(4-2)7-8-5-10-9-7;1-3-6(4-2)7-8-5-9-10-7;23*1-2/h5-10H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;4*5-8H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;5*5-8H,3-4H2,1-2H3;6*5-7H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3;23*1-2H3
InChIKeyNCUHKHQOZPKWJK-UHFFFAOYSA-N
XLogP85.83
TPSA422.38 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds69
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004036.88
LogP ≤ 585.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene with MolForge

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Related Compounds

4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;2-[(4-methylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161459908
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161686232
2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 161997416
2-Tert-butyl-4-propan-2-yl-1,3-oxazole;1,1-difluoro-4-propan-2-ylcyclohexane;1,5-dimethyl-5-propan-2-ylpyrrolidin-2-one;3-fluoro-1-propan-2-ylpyrazole;1-methyl-4-(2-methylpropyl)piperidine;4-methyl-4-propan-2-yloxane;2-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;2-propan-2-yloxolane;3-propan-2-yloxolane;3-propan-2-ylpyridazine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 167703902
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157112642
1,1-Dideuterioethylbenzene;2-(1,1-dideuterioethyl)-4,6-diphenylpyrimidine;4-(1,1-dideuterioethyl)-2,6-diphenylpyrimidine;2-(1,1-dideuterioethyl)pyrazine;2-(1,1-dideuterioethyl)pyridine;3-(1,1-dideuterioethyl)pyridine;4-(1,1-dideuterioethyl)pyridine;2-(1,1-dideuterioethyl)pyrimidine;4-(1,1-dideuterioethyl)pyrimidine;2-(1,1-dideuterioethyl)-1,3,4-thiadiazole;5-(1,1-dideuterioethyl)-1,2,4-thiadiazole;2-(1,1-dideuterioethyl)-1,3,5-triazine;4-(1,1-dideuterioethyl)-2,5,6-triphenylpyrimidine;4-ethyl-1,3-oxazole;3-ethyl-1,2,4-thiadiazole;4-ethyl-1,3-thiazole
CID 157175113
cumene;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157180754
2,5-Di(propan-2-yl)furan;bis(2,5-di(propan-2-yl)-1,3-oxazole);2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;bis(2,5-di(propan-2-yl)-1,3-thiazole);2,5-di(propan-2-yl)thiophene
CID 157281708
1,2-dimethylimidazole;1,2-dimethylpyrrole;1,3-dimethylpyrrole;2-methylfuran;3-methylfuran;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;4-methyl-2H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157283462
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
CID 157288239
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778

Frequently Asked Questions

What is the IUPAC name of ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene?
The IUPAC name of ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene (CID 159743795) is ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene.
What is the SMILES notation for ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene?
The canonical SMILES for ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC(CC)C1C=CC=C1.CCC(CC)C1C=CC=N1.CCC(CC)C1C=CN=C1.CCC(CC)C1C=CN=N1.CCC(CC)C1C=NC=N1.CCC(CC)C1C=NN=C1.CCC(CC)c1ccccc1.CCC(CC)c1ccccn1.CCC(CC)c1cccnc1.CCC(CC)c1cccs1.CCC(CC)c1ccncn1.CCC(CC)c1ccsc1.CCC(CC)c1cnccn1.CCC(CC)c1cncnc1.CCC(CC)c1cnco1.CCC(CC)c1cncs1.CCC(CC)c1cocn1.CCC(CC)c1cscn1.CCC(CC)c1ncccn1.CCC(CC)c1ncco1.CCC(CC)c1nccs1.CCC(CC)c1ncno1.CCC(CC)c1ncon1.
What is the InChIKey of ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene?
The InChIKey is NCUHKHQOZPKWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.2C10H15N.C10H16.4C9H14N2.2C9H15N.2C9H14S.3C8H14N2.3C8H13NO.3C8H13NS.2C7H12N2O.23C2H6/c1-3-10(4-2)11-8-6-5-7-9-11;1-3-9(4-2)10-6-5-7-11-8-10;1-3-9(4-2)10-7-5-6-8-11-10;1-3-9(4-2)10-7-5-6-8-10;1-3-8(4-2)9-5-10-7-11-6-9;1-3-8(4-2)9-7-10-5-6-11-9;1-3-8(4-2)9-5-6-10-7-11-9;1-3-8(4-2)9-10-6-5-7-11-9;1-3-8(4-2)9-5-6-10-7-9;1-3-8(4-2)9-6-5-7-10-9;1-3-8(4-2)9-5-6-10-7-9;1-3-8(4-2)9-6-5-7-10-9;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-5-9-10-6-8;1-3-7(4-2)8-5-6-9-10-8;1-3-7(4-2)8-5-10-6-9-8;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-9-5-6-10-8;1-3-7(4-2)8-5-10-6-9-8;1-3-7(4-2)8-5-9-6-10-8;1-3-7(4-2)8-9-5-6-10-8;1-3-6(4-2)7-8-5-10-9-7;1-3-6(4-2)7-8-5-9-10-7;23*1-2/h5-10H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;5-10H,3-4H2,1-2H3;4*5-8H,3-4H2,1-2H3;2*5-9H,3-4H2,1-2H3;5*5-8H,3-4H2,1-2H3;6*5-7H,3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3;23*1-2H3.
What are the key properties of ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene?
ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene has a molecular weight of 4036.88 g/mol, XLogP of 85.83, 69 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentan-3-ylbenzene;5-pentan-3-ylcyclopenta-1,3-diene;4-pentan-3-yl-4H-imidazole;3-pentan-3-yl-1,2,4-oxadiazole;5-pentan-3-yl-1,2,4-oxadiazole;2-pentan-3-yl-1,3-oxazole;4-pentan-3-yl-1,3-oxazole;5-pentan-3-yl-1,3-oxazole;2-pentan-3-ylpyrazine;3-pentan-3-yl-3H-pyrazole;4-pentan-3-yl-4H-pyrazole;2-pentan-3-ylpyridine;3-pentan-3-ylpyridine;2-pentan-3-ylpyrimidine;4-pentan-3-ylpyrimidine;5-pentan-3-ylpyrimidine;2-pentan-3-yl-2H-pyrrole;3-pentan-3-yl-3H-pyrrole;2-pentan-3-yl-1,3-thiazole;4-pentan-3-yl-1,3-thiazole;5-pentan-3-yl-1,3-thiazole;2-pentan-3-ylthiophene;3-pentan-3-ylthiophene is sourced from PubChem (CID 159743795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).