cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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

C171H278N12O6S3 — CID 158976178

IUPACcumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC=C1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/2C13H14.C11H14O2.C10H12O2.C9H12.3C8H11N.C8H12.3C7H10N2.2C7H10O.3C6H9NS.15C2H6/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;15*1-2/h2*3-10H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3,5-7H,4H2,1-2H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;15*1-2H3
InChIKeyJOKQGIZOARTJSH-UHFFFAOYSA-N
MW2694.38 g/mol
LogP56.80
Rot. Bonds17

About cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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

cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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 (PubChem CID 158976178) has the molecular formula C171H278N12O6S3 and a molecular weight of 2694.38 g/mol. Its IUPAC name is cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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.

Molecular Properties

Compound Namecumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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
PubChem CID158976178
Molecular FormulaC171H278N12O6S3
Molecular Weight2694.38 g/mol
Exact Mass2692.10
IUPAC Namecumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC=C1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/2C13H14.C11H14O2.C10H12O2.C9H12.3C8H11N.C8H12.3C7H10N2.2C7H10O.3C6H9NS.15C2H6/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;15*1-2/h2*3-10H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3,5-7H,4H2,1-2H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;15*1-2H3
InChIKeyJOKQGIZOARTJSH-UHFFFAOYSA-N
XLogP56.80
TPSA217.88 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002694.38
LogP ≤ 556.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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 with MolForge

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Related Compounds

2-phenyl-5-propan-2-ylpyrazine;2-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;3-phenyl-2-propan-2-yl-1H-pyrrole;2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-ylthiophene;2-(4-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyridine;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)pyrimidine;3-(4-propan-2-ylphenyl)-1H-pyrrole;2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 157099887
4-[4-(1-Dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 157116829
4-[4-(4-Dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 157140845
2-[4-(4-Dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 157142213
2-[4-(1-Dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 157149757
4-[4-(4-Dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 157171552
1,4-Dimethylcyclohexane;bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);2,5-dimethyl-1,4-dioxane;2,5-dimethylfuran;2,6-dimethylnaphthalene;bis(2,5-dimethyloxane);bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,5-dimethylthiophene;molecular hydrogen;1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene);bis(1,2,4-trimethylbenzene);1,1,4-trimethylcyclohexane;1,2,4-trimethylcyclohexane;bis(1,2,4-trimethylcyclohexene);bis(2,3,6-trimethylpyridine);1,4-xylene
CID 157298019
2-Dibenzofuran-4-yl-5-[6-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyrimidine;2-dibenzofuran-4-yl-5-[6-(2-dibenzothiophen-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine;5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 157369836
2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-3-methyl-1-benzofuran;3-tert-butyl-4-methylpyridine;bis(2-tert-butyl-5-methylthiophene);1-tert-butylpiperidine;4-tert-butyl-2-pyrrolidin-1-ylpyridine;2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;1-(2,2-dimethylpropyl)piperidine;2,4-dimethylpyridine;methane;2-methylbutane;N-methylcyclopentanamine;2,2,4,4-tetramethylpentane;bis(1,3-xylene)
CID 157438856
(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(6-fluoronaphthalen-2-yl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(3-naphthalen-1-ylpropyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-(4-pyridin-2-ylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-thiophen-3-yl-3-pyridinyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 157457754
2-Methyl-5-(4-propan-2-ylphenyl)pyrimidine;tris(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene
CID 157462105
Benzene;1,1'-biphenyl;2-phenyl-1-benzofuran;2-phenyl-1-benzothiophene;9-phenylcarbazole;2-phenyldibenzofuran;4-phenyldibenzofuran;2-phenyldibenzothiophene;3-phenylfuran;1-phenylnaphthalene;4-phenylpyridine;2-phenylpyrimidine;1-phenylpyrrole;3-phenylthiophene;2-phenyl-1,3,5-triazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;2-pyrimidin-2-ylpyrimidine;1,3,5-triazine;2-(1,3,5-triazin-2-yl)-1,3,5-triazine
CID 157499415

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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?
The IUPAC name of cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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 158976178) is cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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.
What is the SMILES notation for cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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?
The canonical SMILES for cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=CCC=C1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1nccs1.
What is the InChIKey of cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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?
The InChIKey is JOKQGIZOARTJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14.C11H14O2.C10H12O2.C9H12.3C8H11N.C8H12.3C7H10N2.2C7H10O.3C6H9NS.15C2H6/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;15*1-2/h2*3-10H,1-2H3;3-4,7-8H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3,5-7H,4H2,1-2H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;15*1-2H3.
What are the key properties of cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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?
cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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 has a molecular weight of 2694.38 g/mol, XLogP of 56.80, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;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 is sourced from PubChem (CID 158976178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).