1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene

C159H278N14O5S4 — CID 158836333

IUPAC1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene
SMILESCC(C)C1=NC(C(C)C)CO1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1COC(C(C)C)N1.CC(C)C1CSC(C(C)C)N1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/2C12H18.2C11H23N.C11H17N.C10H16N2.C10H16O.C10H16S.C9H16N2.C9H19NO.C9H17NO.2C9H15NO.C9H19NS.2C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*9-11H,5-8H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);6-10H,5H2,1-4H3;6-8H,5H2,1-4H3;2*5-7H,1-4H3;6-10H,5H2,1-4H3;2*5-7H,1-4H3
InChIKeyIXRLPMNALLETGX-UHFFFAOYSA-N
MW2594.33 g/mol
LogP48.28
Rot. Bonds32

About 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene (PubChem CID 158836333) has the molecular formula C159H278N14O5S4 and a molecular weight of 2594.33 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene
PubChem CID158836333
Molecular FormulaC159H278N14O5S4
Molecular Weight2594.33 g/mol
Exact Mass2592.08
IUPAC Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene
SMILESCC(C)C1=NC(C(C)C)CO1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1COC(C(C)C)N1.CC(C)C1CSC(C(C)C)N1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1
InChIInChI=1S/2C12H18.2C11H23N.C11H17N.C10H16N2.C10H16O.C10H16S.C9H16N2.C9H19NO.C9H17NO.2C9H15NO.C9H19NS.2C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*9-11H,5-8H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);6-10H,5H2,1-4H3;6-8H,5H2,1-4H3;2*5-7H,1-4H3;6-10H,5H2,1-4H3;2*5-7H,1-4H3
InChIKeyIXRLPMNALLETGX-UHFFFAOYSA-N
XLogP48.28
TPSA219.69 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002594.33
LogP ≤ 548.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene with MolForge

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Launch Full Analysis

Related Compounds

CID 157902277
CID 157902277
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-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;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;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;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
8-[2-(dimethylamino)ethyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-6-[2-(1,2-oxazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[1-(furan-3-yl)imidazol-2-yl]-8-(oxolan-3-yl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-(furan-2-yl)phenyl]-8-phenyl-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-4-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159084449
dimethyl-[2-[[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]-[2-[[[5-(3-nitrosophenyl)-1H-imidazol-3-ium-2-yl]-[3-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]azanium;N,N-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;3-(1-hydroxypyridin-1-ium-3-yl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole;N-methyl-4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]benzonitrile;3-[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-5-yl]benzonitrile;4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;hydroxide
CID 159343440
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
CID 161180427
CID 161180427
CID 161331998
CID 161331998
CID 161354559
CID 161354559
CID 161434547
CID 161434547
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450
CID 167627776
CID 167627776

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene (CID 158836333) is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene.
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene is CC(C)C1=NC(C(C)C)CO1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1COC(C(C)C)N1.CC(C)C1CSC(C(C)C)N1.CC(C)c1cc(C(C)C)ncn1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)o1.CC(C)c1cccc(C(C)C)c1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1csc(C(C)C)c1.CC(C)c1csc(C(C)C)n1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene?
The InChIKey is IXRLPMNALLETGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.2C11H23N.C11H17N.C10H16N2.C10H16O.C10H16S.C9H16N2.C9H19NO.C9H17NO.2C9H15NO.C9H19NS.2C9H15NS/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-6(2)8-5-10-9(11-8)7(3)4;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4;1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;1-6(2)8-5-10-9(11-8)7(3)4/h2*5-10H,1-4H3;2*9-11H,5-8H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3,(H,10,11);6-10H,5H2,1-4H3;6-8H,5H2,1-4H3;2*5-7H,1-4H3;6-10H,5H2,1-4H3;2*5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene?
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene has a molecular weight of 2594.33 g/mol, XLogP of 48.28, 32 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)-1,3-oxazolidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,6-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)-1,3-thiazolidine;2,4-di(propan-2-yl)thiophene is sourced from PubChem (CID 158836333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).