About 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene
1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 161362592) has the molecular formula C209H302BrCl2NO5S2
and a molecular weight of 3123.66 g/mol. Its IUPAC name is 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
Frequently Asked Questions
What is the IUPAC name of 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 161362592) is 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC.CC.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1ccccc1Br.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1CCCc2ccccc21.CC(C)CCc1cncs1.CC(C)Cc1cccc(Cl)c1Cl.CC(C)[C@@H]1CC1c1ccccc1.CC(C)c1ccc(-c2ccco2)cc1.CC(C)c1cccc2c1CCCC2.CC1CCC(C(C)(C)C)CC1.CC1CCC(C(C)(C)C)CC1.CCC(c1ccccc1)C(C)C.CCCCOC(=O)c1ccc(C(C)C)cc1.COc1ccc(CC(C)(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1cccc(Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is VPJNTMKUQGTNBC-DHPVLZECSA-N. The full InChI is InChI=1S/C16H18O.C14H20O2.C14H16.C13H14O.C13H22.2C13H18.C12H18O.C12H14S.C12H16.C12H18.2C11H22.C11H16.C10H13Br.C10H12Cl2.C8H13NS.2C2H6/c1-12(2)14-7-9-15(10-8-14)17-16-6-4-5-13(3)11-16;1-4-5-10-16-14(15)13-8-6-12(7-9-13)11(2)3;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-12(2,3)9-10-5-7-11(13-4)8-6-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-4-12(10(2)3)11-8-6-5-7-9-11;2*1-9-5-7-10(8-6-9)11(2,3)4;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2,3)8-6-4-5-7-9(8)11;1-7(2)6-8-4-3-5-9(11)10(8)12;1-7(2)3-4-8-5-9-6-10-8;2*1-2/h4-12H,1-3H3;6-9,11H,4-5,10H2,1-3H3;4-10H,1-3H3;3-10H,1-2H3;9-12H,3-8H2,1-2H3;5,7,9-10H,3-4,6,8H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;5-8H,9H2,1-4H3;4-8H,1-3H3;3-7,9,11-12H,8H2,1-2H3;5-10,12H,4H2,1-3H3;2*9-10H,5-8H2,1-4H3;4-6,8-9H,7H2,1-3H3;4-7H,1-3H3;3-5,7H,6H2,1-2H3;5-7H,3-4H2,1-2H3;2*1-2H3/t;;;;;;;;;11-,12?;;;;;;;;;/m.........0........./s1.
What are the key properties of 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 3123.66 g/mol, XLogP of 66.59, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-tert-butylbenzene;5-tert-butyl-1-benzothiophene;bis(1-tert-butyl-4-methylcyclohexane);2-tert-butylnaphthalene;butyl 4-propan-2-ylbenzoate;1,2-dichloro-3-(2-methylpropyl)benzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;ethane;5-(3-methylbutyl)-1,3-thiazole;1-methyl-3-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-3-(4-propan-2-ylphenoxy)benzene;1-propan-2-yladamantane;[(2S)-2-propan-2-ylcyclopropyl]benzene;2-(4-propan-2-ylphenyl)furan;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 161362592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).