3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)

C149H243N13O2S6 — CID 158895012

IUPAC3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
SMILESCC(C)C1=CCC=C1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CCCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.CC(C)c1ncnn1C.CC1=C(C(C)C)N=CC1.CC1=CCCC1.CC1=NCC(C)=C1C(C)C.Cc1cc(C(C)C)on1.Cc1ccsc1C(C)C.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1
InChIInChI=1S/C9H15N.C9H18.C9H16.2C8H13N.C8H12S.C8H16.2C8H12.C7H12N2.C7H11NO.2C7H11NS.C7H11N.C7H10O.2C7H10S.C6H11N3.C6H9NS.C6H10/c1-6(2)9-7(3)5-10-8(9)4;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;2*1-6(2)8-7(3)4-5-9-8;3*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;4*1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-6-4-2-3-5-6/h6H,5H2,1-4H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;2*3,5-7H,4H2,1-2H3;4-6H,1-3H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;4H,2-3,5H2,1H3
InChIKeyJESMZRUBLCSQFZ-UHFFFAOYSA-N
MW2441.07 g/mol
LogP48.68
Rot. Bonds19

About 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)

3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) (PubChem CID 158895012) has the molecular formula C149H243N13O2S6 and a molecular weight of 2441.07 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene).

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
PubChem CID158895012
Molecular FormulaC149H243N13O2S6
Molecular Weight2441.07 g/mol
Exact Mass2438.76
IUPAC Name3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)
SMILESCC(C)C1=CCC=C1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CCCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.CC(C)c1ncnn1C.CC1=C(C(C)C)N=CC1.CC1=CCCC1.CC1=NCC(C)=C1C(C)C.Cc1cc(C(C)C)on1.Cc1ccsc1C(C)C.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1
InChIInChI=1S/C9H15N.C9H18.C9H16.2C8H13N.C8H12S.C8H16.2C8H12.C7H12N2.C7H11NO.2C7H11NS.C7H11N.C7H10O.2C7H10S.C6H11N3.C6H9NS.C6H10/c1-6(2)9-7(3)5-10-8(9)4;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;2*1-6(2)8-7(3)4-5-9-8;3*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;4*1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-6-4-2-3-5-6/h6H,5H2,1-4H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;2*3,5-7H,4H2,1-2H3;4-6H,1-3H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;4H,2-3,5H2,1H3
InChIKeyJESMZRUBLCSQFZ-UHFFFAOYSA-N
XLogP48.68
TPSA168.38 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.07
LogP ≤ 548.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) with MolForge

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Related Compounds

5-Tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 157916697
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2-(2,2-difluoropropyl)triazole;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;cumene;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;methane;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole
CID 157989358
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;2-tert-butyl-4-ethylfuran;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;2-tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;methane;5-propan-2-yl-1,3-oxazole
CID 158177441
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2,5-dimethyl-1,3-thiazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butylpyrimidine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;2,4-dimethyl-1-propan-2-ylimidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;3-propan-2-ylfuran;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole
CID 160176146
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 160597702
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,3-ditert-butylfuran;3,4-ditert-butylfuran;1,4-ditert-butylpyrazole;1,5-ditert-butylpyrazole;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,4-ditert-butyl-3H-pyrrole;3,5-ditert-butyl-2H-pyrrole;2,5-ditert-butyl-1,3-thiazole;2,4-ditert-butylthiophene;2,5-ditert-butylthiophene
CID 157182796
4-Tert-butyl-1,5-dimethyltriazole;5-tert-butyl-1,4-dimethyltriazole;2-tert-butylpyrimidine;cumene;ethane;furan;1-methylimidazole;hexadecakis(2-methylpropane);1-methylpyrazole;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1-propan-2-yltetrazole;pyridine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene
CID 157206232
bis(2-tert-butylcyclopenta-1,3-diene);2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2-oxazole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-1,2,4-thiadiazole;bis(2-tert-butyl-1,3-thiazole);4-tert-butyl-1,3-thiazole;tris(2-tert-butylthiophene);3-tert-butylthiophene
CID 157234721
Ethane;2-methylfuran;1-methylimidazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;bis(1-methylpyrazole);2-methylpyridine;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;1-methyl-1,2,4-triazole
CID 157271870
cumene;2-hydrazinylidene-4-methylpentan-1-imine;docosakis(2-methylpropane);2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)pyrazole;bis(5-(2-methylpropyl)-1H-pyrazole);2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;4-(2-methylpropyl)-1,2,4-triazole;2-propan-2-ylpyrazine;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;5-propan-2-ylpyrimidine
CID 157284470

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) (CID 158895012) is 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene).
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) is CC(C)C1=CCC=C1.CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=CCCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1cccs1.CC(C)c1cnn(C)c1.CC(C)c1nccs1.CC(C)c1ncnn1C.CC1=C(C(C)C)N=CC1.CC1=CCCC1.CC1=NCC(C)=C1C(C)C.Cc1cc(C(C)C)on1.Cc1ccsc1C(C)C.Cc1cnc(C(C)C)s1.Cc1csc(C(C)C)n1.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
The InChIKey is JESMZRUBLCSQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C9H18.C9H16.2C8H13N.C8H12S.C8H16.2C8H12.C7H12N2.C7H11NO.2C7H11NS.C7H11N.C7H10O.2C7H10S.C6H11N3.C6H9NS.C6H10/c1-6(2)9-7(3)5-10-8(9)4;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-4-6-9(8)3;2*1-6(2)8-7(3)4-5-9-8;3*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;4*1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-6-4-2-3-5-6/h6H,5H2,1-4H3;8-9H,3-7H2,1-2H3;6,8H,3-5,7H2,1-2H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;7-8H,3-6H2,1-2H3;2*3,5-7H,4H2,1-2H3;4-6H,1-3H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3;4H,2-3,5H2,1H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene)?
3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) has a molecular weight of 2441.07 g/mol, XLogP of 48.68, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-2H-pyrrole;1-methylcyclopentene;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;4-methyl-5-propan-2-yl-3H-pyrrole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;3-methyl-2-propan-2-ylthiophene;1-methyl-5-propan-2-yl-1,2,4-triazole;propan-2-ylcyclohexane;1-propan-2-ylcyclohexene;bis(2-propan-2-ylcyclopenta-1,3-diene);propan-2-ylcyclopentane;2-propan-2-ylfuran;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene) is sourced from PubChem (CID 158895012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).