cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C236H324N20O6S5 — CID 161048837

IUPACcumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESC.C.C.C.CC(C)C1CCOC1.CC(C)c1cc[nH]c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccn12.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/3C12H13N.C12H14.2C11H13N.C11H14O.C11H12S.C10H12O2.C9H12.6C8H11N.C7H10N2.C7H11N.C7H14O.2C7H10O.2C7H10S.2C6H10N2.2C6H9NS.4CH4/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-7-6-10-5-3-4-8-12(10)11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;3*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;;;;/h3*3-9H,1-2H3;3-4,6-9H,5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;6*3-7H,1-2H3;3-6H,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;5*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;4*1H4
InChIKeyUBVZGQVDNBFFDI-UHFFFAOYSA-N
MW3697.66 g/mol
LogP71.20
Rot. Bonds27

About cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 161048837) has the molecular formula C236H324N20O6S5 and a molecular weight of 3697.66 g/mol. Its IUPAC name is cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID161048837
Molecular FormulaC236H324N20O6S5
Molecular Weight3697.66 g/mol
Exact Mass3694.43
IUPAC Namecumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESC.C.C.C.CC(C)C1CCOC1.CC(C)c1cc[nH]c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccn12.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1
InChIInChI=1S/3C12H13N.C12H14.2C11H13N.C11H14O.C11H12S.C10H12O2.C9H12.6C8H11N.C7H10N2.C7H11N.C7H14O.2C7H10O.2C7H10S.2C6H10N2.2C6H9NS.4CH4/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-7-6-10-5-3-4-8-12(10)11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;3*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;;;;/h3*3-9H,1-2H3;3-4,6-9H,5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;6*3-7H,1-2H3;3-6H,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;5*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;4*1H4
InChIKeyUBVZGQVDNBFFDI-UHFFFAOYSA-N
XLogP71.20
TPSA313.26 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003697.66
LogP ≤ 571.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-6-chloropyridine;2-tert-butyl-5-chlorothiophene;tert-butylcycloheptane;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;3-tert-butylisoquinoline;5-tert-butyl-3-methyl-1-benzofuran;5-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine;1-tert-butylpiperidine;4-tert-butyl-2-pyrrolidin-1-ylpyridine;3-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)thiophene;bis(2,2-dimethylpentane);2,2-dimethylpropylcyclopentane;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;1-(2,2-dimethylpropyl)-4-methylbenzene;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;1-(2,2-dimethylpropyl)piperidine;3-(2,2-dimethylpropyl)thiophene;2,4-dimethylpyridine;2-methylbutane;N-methylcyclopentanamine;2,2,4,4-tetramethylpentane;2,2,5-trimethylhexane;bis(1,3-xylene)
CID 161083109
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 161420728
5-propan-2-yl-1-benzofuran;bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157085276
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1,3-benzoxazole;2-tert-butylcyclopenta-1,3-diene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-1H-imidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;5-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthiophene;2-tert-butyl-1,3,5-triazine;2,2-dimethylpropylbenzene;ethane
CID 157153880
cumene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-4-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;1-methyl-5-propan-2-ylindole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylaniline;4-propan-2-ylaniline;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylfuran;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-ylquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157160801
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;2-propan-2-ylfuran;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)imidazole;1-(3-propan-2-ylphenyl)pyrazole;3-(3-propan-2-ylphenyl)pyridine;1-(3-propan-2-ylphenyl)tetrazole;1-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1,2,4-triazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;6-propan-2-yl-1H-pyridin-2-one
CID 157187726
2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;2-tert-butyl-1,3,4-oxadiazole;bis(1-tert-butylphthalazine);2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;4-propan-2-ylpyridine
CID 157238170
tert-butylbenzene;6-tert-butyl-1H-benzimidazole;5-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzoxadiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butylfuran;6-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-indazole);2-tert-butyl-1H-indene;5-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butylquinoline;4-tert-butyl-1,3-thiazole
CID 157282486
5-propan-2-yl-1-benzofuran;bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157300984
bis(2-methyl-1H-benzimidazole);5-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methyl-1H-indole;3-methyl-1H-indole;5-methylisoquinoline;8-methylisoquinoline;2-methylnaphthalene;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;8-methylquinoline;2-methyl-1,3,5-triazine;toluene
CID 157388765
methane;bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1,3-benzothiazole);bis(6-propan-2-yl-1,3-benzothiazole);5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole);5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;6-propan-2-ylquinazoline;7-propan-2-ylquinazoline;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157417262

Frequently Asked Questions

What is the IUPAC name of cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 161048837) is cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is C.C.C.C.CC(C)C1CCOC1.CC(C)c1cc[nH]c1.CC(C)c1ccc2c(c1)CC=C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccn12.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1nccs1.CC(C)n1cccn1.
What is the InChIKey of cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is UBVZGQVDNBFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N.C12H14.2C11H13N.C11H14O.C11H12S.C10H12O2.C9H12.6C8H11N.C7H10N2.C7H11N.C7H14O.2C7H10O.2C7H10S.2C6H10N2.2C6H9NS.4CH4/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-9(2)11-7-6-10-5-3-4-8-12(10)11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;3*1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;3*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)8-5-3-4-7-8;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;;;;/h3*3-9H,1-2H3;3-4,6-9H,5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-8H,1-2H3;6*3-7H,1-2H3;3-6H,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;5*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;4*1H4.
What are the key properties of cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3697.66 g/mol, XLogP of 71.20, 27 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;methane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylfuran;3-propan-2-ylfuran;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indole;3-propan-2-ylindolizine;3-propan-2-yloxolane;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 161048837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).