About 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane
4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane (PubChem CID 159425724) has the molecular formula C268H379Cl3F2N10O6S3
and a molecular weight of 4077.60 g/mol. Its IUPAC name is 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane.
Frequently Asked Questions
What is the IUPAC name of 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane?
The IUPAC name of 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane (CID 159425724) is 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane.
What is the SMILES notation for 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane?
The canonical SMILES for 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C12CC3CC(CC(C3)C1)C2.CC(C)C1CCCCC1.CC(C)CCC(C)C.CC(C)CCC(c1ccccc1)c1ccccc1.CC(C)CCc1ccccc1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)Nc1ccc(F)cc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccc1Cl.CC(C)[C@H](C)c1cccc2ccccc12.CC(C)c1ccc(Cl)c2ccccc12.CC(C)c1ccc(Cl)cc1[N+](=O)[O-].CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1nc2ccc(F)cc2s1.CC(C)c1nc2ccccc2s1.CN1CCOCC1.COCCC(C)C.COc1ccc(CCC(C)C)cc1.COc1ccc2nc(C(C)C)sc2c1.Cc1ccc2ccccc2c1C(C)C.
What is the InChIKey of 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane?
The InChIKey is LQIBFWAXCJJVNP-LJOVNGEASA-N. The full InChI is InChI=1S/C18H22.C15H18.2C14H16.C13H13Cl.C13H22.C13H14.C12H18O.C11H13NOS.C11H16.C10H10FNS.C10H11NS.C10H14.C9H10ClNO2.C9H12ClN.C9H12FN.3C9H13N.C9H18.C9H12.C8H18.C7H16.C6H14O.C6H14.C5H11NO/c1-15(2)13-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-11(2)12(3)14-10-6-8-13-7-4-5-9-15(13)14;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-9(2)10-7-8-13(14)12-6-4-3-5-11(10)12;1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)4-5-11-6-8-12(13-3)9-7-11;1-7(2)11-12-9-5-4-8(13-3)6-10(9)14-11;1-10(2)8-9-11-6-4-3-5-7-11;1-6(2)10-12-8-4-3-7(11)5-9(8)13-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-9(2)8-10-6-4-3-5-7-10;1-6(2)8-4-3-7(10)5-9(8)11(12)13;1-7(2)11-9-6-4-3-5-8(9)10;1-7(2)11-9-5-3-8(10)4-6-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)10-9-6-4-3-5-7-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)5-6-8(3)4;1-6(2)7(3,4)5;1-6(2)4-5-7-3;1-5(2)6(3)4;1-6-2-4-7-5-3-6/h3-12,15,18H,13-14H2,1-2H3;4-12H,1-3H3;4-10H,1-3H3;3-9,11H,10H2,1-2H3;3-9H,1-2H3;9-12H,3-8H2,1-2H3;3-10H,1-2H3;6-10H,4-5H2,1-3H3;4-7H,1-3H3;3-7,10H,8-9H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-7,9H,8H2,1-2H3;3-6H,1-2H3;2*3-7,11H,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-8,10H,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;6H,1-5H3;6H,4-5H2,1-3H3;5-6H,1-4H3;2-5H2,1H3/t;12-;;;;;;;;;;;;;;;;;;;;;;;;/m.0......................../s1.
What are the key properties of 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane?
4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane has a molecular weight of 4077.60 g/mol, XLogP of 82.42, 47 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane is sourced from PubChem (CID 159425724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).