cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene

C124H232N22O4S4 — CID 157410271

IUPACcumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnn1C(C)C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.c1ccnnc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C9H12.2C8H15N3.2C8H14N2O.2C8H14N2S.C7H14N4.C6H9NO.C6H9NS.C4H4N2.C4H4O.C4H4S.9C4H10/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-10-11(8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;2*1-5(2)6-7-3-4-8-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;9*1-4(2)3/h3-8H,1-2H3;2*5-7H,1-4H3;5*5-6H,1-4H3;2*3-5H,1-2H3;1-4H;2*1-4H;9*4H,1-3H3
InChIKeyBOEVDBAMCJFHQV-UHFFFAOYSA-N
MW2223.64 g/mol
LogP40.88
Rot. Bonds17

About cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene

cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene (PubChem CID 157410271) has the molecular formula C124H232N22O4S4 and a molecular weight of 2223.64 g/mol. Its IUPAC name is cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene.

Molecular Properties

Compound Namecumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene
PubChem CID157410271
Molecular FormulaC124H232N22O4S4
Molecular Weight2223.64 g/mol
Exact Mass2221.75
IUPAC Namecumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnn1C(C)C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.c1ccnnc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C9H12.2C8H15N3.2C8H14N2O.2C8H14N2S.C7H14N4.C6H9NO.C6H9NS.C4H4N2.C4H4O.C4H4S.9C4H10/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-10-11(8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;2*1-5(2)6-7-3-4-8-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;9*1-4(2)3/h3-8H,1-2H3;2*5-7H,1-4H3;5*5-6H,1-4H3;2*3-5H,1-2H3;1-4H;2*1-4H;9*4H,1-3H3
InChIKeyBOEVDBAMCJFHQV-UHFFFAOYSA-N
XLogP40.88
TPSA312.26 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds17
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.64
LogP ≤ 540.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene with MolForge

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Related Compounds

5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole
CID 157658282
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
cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158110433
5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 158686382
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 158711469
2-tert-butyl-5-cyclopropylthiophene;4-tert-butyl-2,5-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butylpyridine;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;2-(2,2-difluoropropyl)-4-propan-2-yltriazole;2,4-dimethyl-1-propan-2-ylimidazole;3,4-dimethyl-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;3-propan-2-ylfuran;1-propan-2-ylimidazole;4-propan-2-yl-1-propylpyrazole;4-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-2H-pyrrole
CID 158946007
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-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159414944
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
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-yl-4H-pyrazol-1-ium;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 159575313
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
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

Frequently Asked Questions

What is the IUPAC name of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene?
The IUPAC name of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene (CID 157410271) is cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene.
What is the SMILES notation for cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene?
The canonical SMILES for cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnn1C(C)C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.c1ccnnc1.c1ccoc1.c1ccsc1.
What is the InChIKey of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene?
The InChIKey is BOEVDBAMCJFHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H15N3.2C8H14N2O.2C8H14N2S.C7H14N4.C6H9NO.C6H9NS.C4H4N2.C4H4O.C4H4S.9C4H10/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-10-11(8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;2*1-5(2)6-7-3-4-8-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;9*1-4(2)3/h3-8H,1-2H3;2*5-7H,1-4H3;5*5-6H,1-4H3;2*3-5H,1-2H3;1-4H;2*1-4H;9*4H,1-3H3.
What are the key properties of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene?
cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene has a molecular weight of 2223.64 g/mol, XLogP of 40.88, 17 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;nonakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;pyridazine;thiophene is sourced from PubChem (CID 157410271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).