cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene

C341H492F7N5O8S — CID 160884316

IUPACcumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.CSc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H16.C12H17NO.C12H18O.C11H15NO.C11H17N.2C11H16O.C11H14O.C10H11F3.3C10H13F.C10H11N.C10H14O.C10H14S.13C10H14.C9H11F.C9H13N.C9H12O.C9H12.11CH4/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-5-6-11(12-4)9(3)7-10;2*1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-3-5-9(6-4-8)10(11,12)13;3*1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)10-5-3-9(7-11)4-6-10;2*1-8(2)9-4-6-10(11-3)7-5-9;6*1-8(2)10-6-4-9(3)5-7-10;7*1-8(2)10-6-4-5-9(3)7-10;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;/h3-12H,1-2H3;5-9H,1-4H3;5-9,13H,1-4H3;4-8H,1-3H3,(H,12,13);5-9H,1-4H3;5-8H,1-4H3;4-9,12H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;13*4-8H,1-3H3;3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;11*1H4
InChIKeySNKYAIVWMOIOOL-UHFFFAOYSA-N
MW4954.77 g/mol
LogP105.51
Rot. Bonds42

About cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene

cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 160884316) has the molecular formula C341H492F7N5O8S and a molecular weight of 4954.77 g/mol. Its IUPAC name is cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Namecumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID160884316
Molecular FormulaC341H492F7N5O8S
Molecular Weight4954.77 g/mol
Exact Mass4950.79
IUPAC Namecumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.CSc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H16.C12H17NO.C12H18O.C11H15NO.C11H17N.2C11H16O.C11H14O.C10H11F3.3C10H13F.C10H11N.C10H14O.C10H14S.13C10H14.C9H11F.C9H13N.C9H12O.C9H12.11CH4/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-5-6-11(12-4)9(3)7-10;2*1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-3-5-9(6-4-8)10(11,12)13;3*1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)10-5-3-9(7-11)4-6-10;2*1-8(2)9-4-6-10(11-3)7-5-9;6*1-8(2)10-6-4-9(3)5-7-10;7*1-8(2)10-6-4-5-9(3)7-10;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;/h3-12H,1-2H3;5-9H,1-4H3;5-9,13H,1-4H3;4-8H,1-3H3,(H,12,13);5-9H,1-4H3;5-8H,1-4H3;4-9,12H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;13*4-8H,1-3H3;3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;11*1H4
InChIKeySNKYAIVWMOIOOL-UHFFFAOYSA-N
XLogP105.51
TPSA198.68 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds42
Heavy Atoms362
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004954.77
LogP ≤ 5105.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 160884316) is cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene is C.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)(C)O)cc1.CC(C)c1ccc(C(C)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1ccc(O)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1ccccc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.CSc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C(C)C)ccc1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.
What is the InChIKey of cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is SNKYAIVWMOIOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C12H17NO.C12H18O.C11H15NO.C11H17N.2C11H16O.C11H14O.C10H11F3.3C10H13F.C10H11N.C10H14O.C10H14S.13C10H14.C9H11F.C9H13N.C9H12O.C9H12.11CH4/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)10-5-7-11(8-6-10)12(3,4)13;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-5-6-11(12-4)9(3)7-10;2*1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-3-5-9(6-4-8)10(11,12)13;3*1-7(2)9-4-5-10(11)8(3)6-9;1-8(2)10-5-3-9(7-11)4-6-10;2*1-8(2)9-4-6-10(11-3)7-5-9;6*1-8(2)10-6-4-9(3)5-7-10;7*1-8(2)10-6-4-5-9(3)7-10;3*1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;/h3-12H,1-2H3;5-9H,1-4H3;5-9,13H,1-4H3;4-8H,1-3H3,(H,12,13);5-9H,1-4H3;5-8H,1-4H3;4-9,12H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3*4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;13*4-8H,1-3H3;3-7H,1-2H3;3-7H,10H2,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;11*1H4.
What are the key properties of cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene?
cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 4954.77 g/mol, XLogP of 105.51, 42 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N,N-dimethyl-4-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylbenzamide;tris(1-fluoro-2-methyl-4-propan-2-ylbenzene);1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;heptakis(1-methyl-3-propan-2-ylbenzene);hexakis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;4-propan-2-ylaniline;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanone;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 160884316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).