2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide

C238H337F3N8O11S3 — CID 159761585

IUPAC2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide
SMILESCC(=O)Nc1ccccc1C(C)(C)C.CC(=O)c1ccccc1C(C)(C)C.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1C#N.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1S(C)(=O)=O.CN(C)c1ccc(C(C)(C)C)cc1.CN(C)c1cccc(C(C)(C)C)c1.CN(C)c1ccccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H24.C12H17NO.3C12H19N.C12H16O.C11H17NO2S.3C11H13N.2C11H16O2S.3C11H16O.3C11H16.3C10H13F/c1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-9(14)13-11-8-6-5-7-10(11)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-9(13)10-7-5-6-8-11(10)12(2,3)4;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11/h7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,1-4H3,(H,13,14);3*6-9H,1-5H3;5-8H,1-4H3;5-8,12H,1-4H3;2*5-8H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;3*5-8H,1-4H3;3*5-8H,1-4H3;3*4-7H,1-3H3
InChIKeyNEYOKDIPAGUIKC-UHFFFAOYSA-N
MW3639.55 g/mol
LogP65.59
Rot. Bonds13

About 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide

2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide (PubChem CID 159761585) has the molecular formula C238H337F3N8O11S3 and a molecular weight of 3639.55 g/mol. Its IUPAC name is 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide.

Molecular Properties

Compound Name2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide
PubChem CID159761585
Molecular FormulaC238H337F3N8O11S3
Molecular Weight3639.55 g/mol
Exact Mass3636.52
IUPAC Name2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide
SMILESCC(=O)Nc1ccccc1C(C)(C)C.CC(=O)c1ccccc1C(C)(C)C.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1C#N.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1S(C)(=O)=O.CN(C)c1ccc(C(C)(C)C)cc1.CN(C)c1cccc(C(C)(C)C)c1.CN(C)c1ccccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H24.C12H17NO.3C12H19N.C12H16O.C11H17NO2S.3C11H13N.2C11H16O2S.3C11H16O.3C11H16.3C10H13F/c1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-9(14)13-11-8-6-5-7-10(11)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-9(13)10-7-5-6-8-11(10)12(2,3)4;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11/h7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,1-4H3,(H,13,14);3*6-9H,1-5H3;5-8H,1-4H3;5-8,12H,1-4H3;2*5-8H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;3*5-8H,1-4H3;3*5-8H,1-4H3;3*4-7H,1-3H3
InChIKeyNEYOKDIPAGUIKC-UHFFFAOYSA-N
XLogP65.59
TPSA230.54 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003639.55
LogP ≤ 565.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide?
The IUPAC name of 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide (CID 159761585) is 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide.
What is the SMILES notation for 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide?
The canonical SMILES for 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide is CC(=O)Nc1ccccc1C(C)(C)C.CC(=O)c1ccccc1C(C)(C)C.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1C#N.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1F.CC(C)(C)c1ccccc1S(C)(=O)=O.CN(C)c1ccc(C(C)(C)C)cc1.CN(C)c1cccc(C(C)(C)C)c1.CN(C)c1ccccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)(C)C)cc1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.[C-]#[N+]c1ccc(C(C)(C)C)cc1.[C-]#[N+]c1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide?
The InChIKey is NEYOKDIPAGUIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.C12H17NO.3C12H19N.C12H16O.C11H17NO2S.3C11H13N.2C11H16O2S.3C11H16O.3C11H16.3C10H13F/c1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-9(14)13-11-8-6-5-7-10(11)12(2,3)4;1-12(2,3)10-6-8-11(9-7-10)13(4)5;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-9(13)10-7-5-6-8-11(10)12(2,3)4;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)10-7-5-4-6-9(10)8-12;1-11(2,3)9-5-7-10(8-6-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11/h7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,1-4H3,(H,13,14);3*6-9H,1-5H3;5-8H,1-4H3;5-8,12H,1-4H3;2*5-8H,1-3H3;4-7H,1-3H3;2*5-8H,1-4H3;3*5-8H,1-4H3;3*5-8H,1-4H3;3*4-7H,1-3H3.
What are the key properties of 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide?
2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide has a molecular weight of 3639.55 g/mol, XLogP of 65.59, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzonitrile;1-tert-butyl-2-cyclohexylbenzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-isocyanobenzene;1-tert-butyl-4-isocyanobenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-4-methylsulfonylbenzene;N-(2-tert-butylphenyl)acetamide;1-(2-tert-butylphenyl)ethanone;N-(4-tert-butylphenyl)methanesulfonamide is sourced from PubChem (CID 159761585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).